Representations & DB's id
|
| |
| ChEBI: |
None
|
| ChEMBL: |
CHEMBL464115
|
| PubChem: |
11226314
|
|
IUPAC:
|
[(2S,3S,4R,4aS,4bR,7R,8aR,9R,10aS)-9-acetyloxy-7-ethenyl-2,4,8a-trihydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-2,3,4,4b,6,9,10,10a-octahydrophenanthren-3-yl] benzoate
|
|
Standard InChI:
|
InChI=1S/C29H36O9/c1-7-27(5)14-17(31)21-28(6)18(13-19(37-15(2)30)29(21,36)25(27)35)26(3,4)22(32)20(23(28)33)38-24(34)16-11-9-8-10-12-16/h7-12,18-23,32-33,36H,1,13-14H2,2-6H3/t18-,19+,20-,21+,22+,23-,27-,28-,29-/m0/s1
|
|
Standard InChI Key:
|
HJGHLDCCNKXCAO-SKLQCFIISA-N
|
|
SMILES:
|
C=C[C@@]1(C)CC(=O)[C@H]2[C@@](C1=O)(O)[C@H](OC(=O)C)C[C@@H]1[C@]2(C)[C@@H](O)[C@@H](OC(=O)c2ccccc2)[C@H](C1(C)C)O |
