Summary

SMILES: CC[C@@H](C(C)C)CC[C@H](C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C
InChI: InChI=1S/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/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
InChIKey: NPJICTMALKLTFW-QYDWNGEASA-N
DeepSMILES: CC[C@@H]CC)C))CC[C@H]CCC[C@@H][C@]5C)CC[C@H][C@H]6CC=C[C@]6C)CCCC6)O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O))))))))))))))))))))))C
Scaffold Graph/Node/Bond level: C1=C2CC(OC3CCCCO3)CCC2C2CCC3CCCC3C2C1
Scaffold Graph/Node level: C1CCC(OC2CCC3C(CCC4C5CCCC5CCC34)C2)OC1
Scaffold Graph level: C1CCC(CC2CCC3C(CCC4C5CCCC5CCC34)C2)CC1
Functional groups: CC=C(C)C; CO; CO[C@@H](C)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like molecules
ClassyFire Class: Steroids and steroid derivatives
ClassyFire Subclass: Stigmastanes and derivatives
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Steroids
NP Classifier Class: Stigmastane steroids

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Synonymous chemical names:
sitosterol—d-glucoside

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External chemical identifiers:
CID:71628

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Chemical structure download