Representations & DB's id
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| ChEBI: |
None
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| ChEMBL: |
CHEMBL420695
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| PubChem: |
10372798
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IUPAC:
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[(2R,4R,4bS,5R,6S,7S,10R,10aR)-6,7,10-triacetyloxy-5-benzoyloxy-2-ethenyl-10a-hydroxy-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/C40H46O13/c1-8-38(7)20-27(52-34(45)25-15-11-9-12-16-25)31-39(21-41)28(19-29(49-22(2)42)40(31,48)36(38)47)37(5,6)32(51-24(4)44)30(50-23(3)43)33(39)53-35(46)26-17-13-10-14-18-26/h8-18,27-33,41,48H,1,19-21H2,2-7H3/t27-,28?,29-,30+,31?,32-,33+,38+,39+,40+/m1/s1
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Standard InChI Key:
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FGNRGTAPXIKBOC-GQFLSVFTSA-N
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SMILES:
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OC[C@@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)C)[C@H](C(C2C[C@H]([C@@]2(C1[C@@H](C[C@](C2=O)(C)C=C)OC(=O)c1ccccc1)O)OC(=O)C)(C)C)OC(=O)C |
