NSC1613

Molecular Formula: C₂₇H₄₄O₄

InChI: InChI=1/C27H44O4/c1-16(7-10-22(30)31)17-11-14-26(5)18-8-9-20-24(2,3)21(29)12-13-25(20,4)23(18)19(28)15-27(17,26)6/h16-18,20-21,23,29H,7-15H2,1-6H3,(H,30,31)/t16-,17-,18-,20+,21+,23-,25+,26+,27-/m1/s1/f/h30H

InChIKey: InChIKey=FBWKZBCHBYJECA-VHSLVNMDDV
SMILES: CC(CCC(=O)O)C1CCC2(C1(CC(=O)C3C2CCC4C3(CCC(C4(C)C)O)C)C)C

Names:
    NSC1613
    (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
    5346-42-9

Registries:
    PubChem CID 219834
    PubChem ID 68386