(2R,6R)-6-[(1R,3aR,4S,5aR,9aS,11aR)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1H,2H,4H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid

CAS: 95311-97-0

Formula: C30H42O7

SMILES: [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])C[C@@H]3O)[C@H](C)CC(=O)C[C@@H](C)C(O)=O

IUPAC: (2R,6R)-6-[(1R,3aR,4S,5aR,9aS,11aR)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid

InChI: InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18+,19-,21-,28-,29-,30-/m1/s1

Composition: C (70.01%), H (8.23%), O (21.76%)

Molar Mass: 514.659

Atom Count: 79

Heavy Atom Count: 37