Catalog Number:
AG00BEZW
Chemical Name:
(4aS,6aR,6bR,10S,12aR,14aR,14bR)-Methyl 10-acetoxy-2,2,6a,6b,9,9,12a-heptaMethyl-14-oxo-docosahydropicene-4a-carboxylate
CAS Number:
25493-94-1
Molecular Formula:
C33H52O5
Molecular Weight:
528.7630
MDL Number:
MFCD22417055
IUPAC Name:
methyl (4aS,6aR,6bR,10S,12aR,14aR,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-3,4,5,6,6a,7,8,8a,10,11,12,13,14a,14b-tetradecahydro-1H-picene-4a-carboxylate
InChI:
InChI=1S/C33H52O5/c1-20(34)38-25-11-12-30(6)23(29(25,4)5)10-13-31(7)24(30)18-22(35)26-21-19-28(2,3)14-16-33(21,27(36)37-9)17-15-32(26,31)8/h21,23-26H,10-19H2,1-9H3/t21-,23?,24?,25+,26+,30+,31-,32-,33+/m1/s1
InChI Key:
WJXGKADQKHUESG-PJJZZEPASA-N
SMILES:
COC(=O)[C@@]12CCC(C[C@H]2[C@@H]2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2=O)(C)CC[C@@H](C3(C)C)OC(=O)C)(C)C
