Desfontainoside A
Molecular Formula:
C39H58O11
InChI: InChI=1/C39H58O11/c1-21(40)48-27-20-47-33(31(30(27)44)49-22(2)41)50-26-19-38(9)28-12-11-24-25(17-23(42)18-34(24,3)4)36(28,7)15-16-37(38,8)32(26)39(10,46)29(43)13-14-35(5,6)45/h11,13-14,17,25-28,30-33,42,44-46H,12,15-16,18-20H2,1-10H3/b14-13+
InChIKey: InChIKey=YLPCKPCAKXLNII-BUHFOSPRBZ
SMILES: CC(=O)OC1COC(C(C1O)OC(=O)C)OC2CC3(C4CC=C5C(C4(CCC3(C2C(C)(C(=O)C=CC(C)(C)O)O)C)C)C=C(CC5(C)C)O)C
Names:
AIDS-130877
AIDS130877
Desfontainoside A
NSC615483
17-(1,5-Dihydroxy-1,5-dimethyl-2-oxo-3-hexenyl)-2-hydroxy-4,4,9,14-tetramethylestra-1,5-dien-16-yl 2,4-di-O-acetylpentopyranoside
[5-acetyloxy-6-[[17-[(E)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-7,8,10,11,12,15,16,17-octahydro-3H-cyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-oxan-3-yl] acetate
Registries:
PubChem CID 6053722
PubChem ID 226826
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