Daucosterol
Molecular Formula:
C35H60O6
InChI: InChI=1/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21u,22-,24+,25u,26u,27u,28u,29-,30?,31+,32?,33?,34+,35-/m1/s1
InChIKey: InChIKey=NPJICTMALKLTFW-HIKYLGMJBL
SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
Names:
Daucosterol
NSC165962
(4S,6R)-2-[[(3S,10R,13R)-17-[(5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Registries:
PubChem CID 5458359
PubChem ID 8140416
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