198910
  -OEChem-05062401002D

 55 59  0     1  0  0  0  0  0999 V2000
    4.4850    3.3185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700   -2.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1110    1.7361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2277    0.2462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -1.4338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370    0.2493    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.0494   -2.7018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030   -0.2507    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3938   -1.2225    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4691    0.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030    1.7493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4691    1.2493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4051   -1.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370    1.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3885   -1.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5870    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1842   -2.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3791    1.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7937   -2.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9892   -0.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7152    3.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3871    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8276   -2.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2392    1.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0258   -0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4478   -1.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9712    1.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8433   -2.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2901   -0.7512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811   -0.3333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0796    0.3569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8637    2.1686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2019    0.8186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8155   -1.5174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5338   -1.9321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250    1.8319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1264    1.1416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6346    0.0830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4635   -0.7286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5810    3.4108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1131   -3.3185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7315    0.2952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0190    3.8212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1748    3.5845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    2.7402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9252    3.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722   -2.7303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3891    0.1309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6550    0.6928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5045    0.9099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2874    1.7594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2755   -2.5986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0923   -2.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4111   -2.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 23  1  0  0  0  0
  2 18  2  0  0  0  0
  3 25  1  0  0  0  0
  3 28  1  0  0  0  0
  4 25  2  0  0  0  0
  5 27  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  1  0  0  0
  9 13  1  1  0  0  0
  9 16  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 33  1  6  0  0  0
 12 19  1  0  0  0  0
 12 34  1  6  0  0  0
 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  6  0  0  0
 17 41  1  0  0  0  0
 19 23  2  0  0  0  0
 19 25  1  0  0  0  0
 20 24  1  0  0  0  0
 21 26  2  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 27  2  0  0  0  0
 24 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
198910

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
739

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWLAAAA8QIAAAAAAAFiBAAAAHgAQAAAADzzhmAYyzoPABACIAiXSWACCCAAhIgAIiAEObMgMJjrE9ZuEMChm1BnI6Iec/f/foAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl (1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxo-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-indoline]-4-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxo-4-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]carboxylic acid methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl (1<I>S</I>,4<I>a</I><I>S</I>,5<I>a</I><I>R</I>,6<I>S</I>,10<I>a</I><I>S</I>)-6&apos;-methoxy-1-methyl-2&apos;-oxospiro[1,4<I>a</I>,5,5<I>a</I>,7,8,10,10<I>a</I>-octahydropyrano[3,4-f]indolizine-6,3&apos;-1<I>H</I>-indole]-4-carboxylate

> <PUBCHEM_IUPAC_NAME>
methyl (1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl (1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxidanylidene-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,4aS,5aR,6S,10aS)-2'-keto-6'-methoxy-1-methyl-spiro[1,4a,5,5a,7,8,10,10a-octahydropyran[3,4-f]indolizine-6,3'-indoline]-4-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H26N2O5/c1-12-15-10-24-7-6-22(17-5-4-13(27-2)8-18(17)23-21(22)26)19(24)9-14(15)16(11-29-12)20(25)28-3/h4-5,8,11-12,14-15,19H,6-7,9-10H2,1-3H3,(H,23,26)/t12-,14-,15-,19+,22-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
SRKHGHLMEDVZRX-PNGOUSOWSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
398.18417193

> <PUBCHEM_MOLECULAR_FORMULA>
C22H26N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
398.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=C(C=C(C=C5)OC)NC4=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1[C@@H]2CN3CC[C@@]4([C@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=C(C=C(C=C5)OC)NC4=O

> <PUBCHEM_CACTVS_TPSA>
77.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
398.18417193

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  33  6
12  34  6
16  20  8
16  21  8
17  22  6
20  24  8
21  26  8
24  27  8
26  27  8
8  30  5
9  13  5

$$$$