Representations & DB's id
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| ChEBI: |
None
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| ChEMBL: |
CHEMBL333406
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| PubChem: |
9987166
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IUPAC:
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[(2R,4R,4bS,5R,6S,7S,10R,10aR)-7,10-diacetyloxy-5-benzoyloxy-2-ethenyl-6,10a-dihydroxy-4b-(hydroxymethyl)-2,8,8-trimethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
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Standard InChI:
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InChI=1S/C38H44O12/c1-7-36(6)19-25(49-32(43)23-14-10-8-11-15-23)29-37(20-39)26(18-27(47-21(2)40)38(29,46)34(36)45)35(4,5)30(48-22(3)41)28(42)31(37)50-33(44)24-16-12-9-13-17-24/h7-17,25-31,39,42,46H,1,18-20H2,2-6H3/t25-,26?,27-,28+,29?,30-,31+,36+,37+,38+/m1/s1
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Standard InChI Key:
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OCMIPFCAXYMOEC-OAPAROCCSA-N
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SMILES:
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OC[C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](O)[C@H](C(C1C[C@H]([C@@]1(C2[C@H](OC(=O)c2ccccc2)C[C@](C1=O)(C)C=C)O)OC(=O)C)(C)C)OC(=O)C |
