[(3R,4S,5S,8S,9S,12R)-12-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxo-pentyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-5,9-dihydroxy-4-methoxy-2,8-dimethyl-7-oxo-tridecan-3-yl] (3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-3-furyl)propanoate
Molecular Formula:
C41H66O13
InChI: InChI=1/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32-,33-,36+,37-,38-,41+/m0/s1
InChIKey: InChIKey=RFCWHQNNCOJYTR-FEUDZFHEBX
SMILES: CC1CCC2(CCC(C(O2)C(C)CCC(C(C)C(=O)CC(C(C(C(C)C)OC(=O)CC(C3=C(C(=O)OC3=O)C)O)OC)O)O)C)OC1CCC(C)C(=O)C
Names:
[(3R,4S,5S,8S,9S,12R)-12-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxo-pentyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-5,9-dihydroxy-4-methoxy-2,8-dimethyl-7-oxo-tridecan-3-yl] (3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-3-furyl)propanoate
Registries:
PubChem CID 10055948
PubChem ID 15039468
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