[(5S,9S,10R,13R,14S,17S)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl] acetate
Molecular Formula:
C32H44O11
InChI: InChI=1/C32H44O11/c1-17-25(36)26(37)27(38)28(41-17)42-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(35)40-15-19)9-13-32(29,39)23(22)8-12-31(30,14-20)43-18(2)34/h4-5,15-17,20-23,25-28,36-39H,6-14H2,1-3H3/t17-,20?,21-,22+,23u,25-,26+,27+,28+,29-,30+,31+,32+/m1/s1
InChIKey: InChIKey=IKNIMVNUBXHADS-AFBRSXAIBP
SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)OC(=O)C)O)C6=COC(=O)C=C6)C)C=O)O)O)O
Names:
[(5S,9S,10R,13R,14S,17S)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl] acetate
Registries:
PubChem CID 10054381
PubChem ID 15037937
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