11488813
  -OEChem-05102418322D

 73 74  0     1  0  0  0  0  0999 V2000
    2.6200    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    5.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5482   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    1.5600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0841   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4860    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6822   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4142   -4.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803   -4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
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 20  3  1  1  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
11488813

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
997

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6OAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAHgAQCAAADBThgAYCCALABgCIAqHSGACAAAAgAAAICIEIAEkLFBIAoQAHUAAE1gCboYOQwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2E,4Z)-N-[(R)-[(1R,2E,5R,8E,10Z,14E,17R)-3,11-dimethyl-19-methylene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl]-hydroxy-methyl]hexa-2,4-dienamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2E,4Z)-N-[(R)-[(1R,2E,5R,8E,10Z,14E,17R)-3,11-dimethyl-19-methylene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]heneicosa-2,8,10,14-tetraen-5-yl]-hydroxymethyl]hexa-2,4-dienamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>E</I>,4<I>Z</I>)-<I>N</I>-[(<I>R</I>)-[(1<I>R</I>,2<I>E</I>,5<I>R</I>,8<I>E</I>,10<I>Z</I>,14<I>E</I>,17<I>R</I>)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl]-hydroxymethyl]hexa-2,4-dienamide

> <PUBCHEM_IUPAC_NAME>
(2E,4Z)-N-[(R)-[(1R,2E,5R,8E,10Z,14E,17R)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl]-hydroxymethyl]hexa-2,4-dienamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2E,4Z)-N-[(R)-[(1R,2E,5R,8E,10Z,14E,17R)-3,11-dimethyl-19-methylidene-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl]-oxidanyl-methyl]hexa-2,4-dienamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2E,4Z)-N-[(R)-[(1R,2E,5R,8E,10Z,14E,17R)-7,13-diketo-3,11-dimethyl-19-methylene-6,21-dioxabicyclo[15.3.1]heneicosa-2,8,10,14-tetraen-5-yl]-hydroxy-methyl]hexa-2,4-dienamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H37NO6/c1-5-6-7-13-27(32)30-29(34)26-19-22(4)18-25-17-21(3)16-24(35-25)12-9-11-23(31)15-20(2)10-8-14-28(33)36-26/h5-11,13-14,18,24-26,29,34H,3,12,15-17,19H2,1-2,4H3,(H,30,32)/b6-5-,11-9+,13-7+,14-8+,20-10-,22-18+/t24-,25-,26-,29-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NJZJMJVVSZTAGX-BCHNLUMVSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
495.26208790

> <PUBCHEM_MOLECULAR_FORMULA>
C29H37NO6

> <PUBCHEM_MOLECULAR_WEIGHT>
495.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC=CC=CC(=O)NC(C1CC(=CC2CC(=C)CC(O2)CC=CC(=O)CC(=CC=CC(=O)O1)C)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C=C\C=C\C(=O)N[C@@H]([C@H]1C/C(=C/[C@H]2CC(=C)C[C@H](O2)C/C=C/C(=O)C/C(=C\C=C\C(=O)O1)/C)/C)O

> <PUBCHEM_CACTVS_TPSA>
102

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
495.26208790

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
6

> <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>
17  48  6
20  3  5
8  37  5
9  38  5

$$$$