11-Deoxocucurbitacin I

Molecular Formula: C30H44O6


InChI: InChI=1/C30H44O6/c1-25(2,35)12-11-22(33)30(8,36)23-20(32)16-29(7)21-10-9-17-18(15-19(31)24(34)26(17,3)4)27(21,5)13-14-28(23,29)6/h9,11-12,15,18,20-21,23,31-32,35-36H,10,13-14,16H2,1-8H3/b12-11+/t18-,20-,21-,23+,27+,28-,29+,30+/m1/s1

InChIKey: InChIKey=PTCAIPUXGKZZBJ-CTYMYLBIBB
SMILES: CC1(C2=CCC3C(C2C=C(C1=O)O)(CCC4(C3(CC(C4C(C)(C(=O)C=CC(C)(C)O)O)O)C)C)C)C

Names:
    C08807
    (8R,9R,10S,13R,14S,16R,17S)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
    11-Deoxocucurbitacin I
    98941-76-5

Registries:
    PubChem CID 5281324
    PubChem ID 11000