(Z,2S,4R,8S)-8-[(2S,5R,7R,8R,9S)-9-hydroxy-2-[(2R,4S,5S,7R,9S,10R)-2-[(2S,3S,5R,6S)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-oxan-2-yl]-9-[(2S,5S,6R)-5-methoxy-6-methyl-oxan-2-yl]oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4,6-trimethyl-5-oxo-non-6-enoic acid
Molecular Formula:
C47H78O14
InChI: InChI=1/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-31(8)34(49)22-45(59-41)16-15-44(11,61-45)38-21-36(56-39-14-13-35(54-12)33(10)55-39)32(9)47(58-38)30(7)20-37(57-47)42-27(4)19-29(6)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17-/t25-,26+,27+,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,41-,42+,44+,45-,46+,47+/m1/s1/f/h51H
InChIKey: InChIKey=FELYAZAWTURXNF-RUPJECTODC
SMILES: CC1CC(C(OC1C2CC(C3(O2)C(C(CC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C=C(C)C(=O)C(C)CC(C)C(=O)O)C)O)C)OC6CCC(C(O6)C)OC)C)C)(CO)O)C
Names:
(Z,2S,4R,8S)-8-[(2S,5R,7R,8R,9S)-9-hydroxy-2-[(2R,4S,5S,7R,9S,10R)-2-[(2S,3S,5R,6S)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-oxan-2-yl]-9-[(2S,5S,6R)-5-methoxy-6-methyl-oxan-2-yl]oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4,6-trimethyl-5-oxo-non-6-enoic acid
Registries:
PubChem CID 10418157
PubChem ID 15435828
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