99474
  -OEChem-05142409202D

 72 77  0     1  0  0  0  0  0999 V2000
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    3.9300   -1.4644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0027    2.8336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6628   -0.3108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5288   -0.8108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.3948   -0.3108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3309   -1.8856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3948    0.6892    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3196   -1.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6628    0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9434   -1.0845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5288    1.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2888    1.2239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.2888   -0.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1949    0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4189    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1386    1.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1949    2.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7227   -3.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0003    3.4536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
 15  1  1  1  0  0  0
  2 15  1  0  0  0  0
  2 29  1  0  0  0  0
 27  3  1  6  0  0  0
  3 72  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
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  7  9  1  0  0  0  0
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 11 39  1  0  0  0  0
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 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
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 14 19  1  0  0  0  0
 14 23  1  6  0  0  0
 15 21  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 22  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 22  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 26  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 27  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 27  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 26 28  1  0  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  1  0  0  0
 28 66  1  0  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 30 69  1  0  0  0  0
 30 70  1  0  0  0  0
 30 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
99474

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
746

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAAAAAAAAAAAAAAAAAAAAaIAAAA0YIEAAAASAGCAAAAAGgAACAAADxSggAICCAAABgCAAiBCAAAAAAAgAAAACAAAAAgQEAIAAQAiQAAEwAAMAAPA4PwPgAAAAAAAAADAAAQAACAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-tetrahydropyran]-16-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-16-spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicos-18-ene-6,2'-oxane]ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,2<I>S</I>,4<I>S</I>,5&apos;<I>R</I>,6<I>R</I>,7<I>S</I>,8<I>R</I>,9<I>S</I>,12<I>S</I>,13<I>R</I>,16<I>S</I>)-5&apos;,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0<SUP>2,9</SUP>.0<SUP>4,8</SUP>.0<SUP>13,18</SUP>]icos-18-ene-6,2&apos;-oxane]-16-ol

> <PUBCHEM_IUPAC_NAME>
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicos-18-ene-6,2'-tetrahydropyran]-16-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WQLVFSAGQJTQCK-VKROHFNGSA-N

> <PUBCHEM_XLOGP3_AA>
5.7

> <PUBCHEM_EXACT_MASS>
414.31339520

> <PUBCHEM_MOLECULAR_FORMULA>
C27H42O3

> <PUBCHEM_MOLECULAR_WEIGHT>
414.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1

> <PUBCHEM_CACTVS_TPSA>
38.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
414.31339520

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
11

> <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>
15  1  5
12  20  5
14  23  6
28  30  5
27  3  6
4  16  6
5  31  5
6  32  5
7  33  6
8  34  5
9  35  5

$$$$