Representations & DB's id
|
| |
| ChEBI: |
None
|
| ChEMBL: |
CHEMBL331893
|
| PubChem: |
10462677
|
|
IUPAC:
|
[(2R,4R,4bS,5R,6S,7S,10R,10aR)-6,7-diacetyloxy-4b-(acetyloxymethyl)-5-benzoyloxy-2-ethenyl-10,10a-dihydroxy-2,8,8-trimethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
|
|
Standard InChI:
|
InChI=1S/C40H46O13/c1-8-38(7)20-27(52-34(45)25-15-11-9-12-16-25)31-39(21-49-22(2)41)28(19-29(44)40(31,48)36(38)47)37(5,6)32(51-24(4)43)30(50-23(3)42)33(39)53-35(46)26-17-13-10-14-18-26/h8-18,27-33,44,48H,1,19-21H2,2-7H3/t27-,28?,29-,30+,31?,32-,33+,38+,39+,40+/m1/s1
|
|
Standard InChI Key:
|
JVVJQHQBRIQJKT-GQFLSVFTSA-N
|
|
SMILES:
|
C=C[C@@]1(C)C[C@@H](OC(=O)c2ccccc2)C2[C@@](C1=O)(O)[C@H](O)CC1[C@]2(COC(=O)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)C)[C@H](C1(C)C)OC(=O)C |
