19-Norcholesta-1,3,5(10)-triene-11,22-dione, 25-(acetyloxy)-2-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,16,20-trihydroxy-4,9,14-trimethyl-, (9β,16α)-

CAS Registry Number®

151589-22-9
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CAS Name

19-Norcholesta-1,3,5(10)-triene-11,22-dione, 25-(acetyloxy)-2-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,16,20-trihydroxy-4,9,14-trimethyl-, (9β,16α)-

Molecular Formula

C43H64O18

Molecular Mass

868.96

Cite this Page

19-Norcholesta-1,3,5(10)-triene-11,22-dione, 25-(acetyloxy)-2-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,16,20-trihydroxy-4,9,14-trimethyl-, (9β,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=151589-22-9 (retrieved 2024-09-19) (CAS RN: 151589-22-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H64O18/c1-18-20-9-10-26-40(5)14-22(46)36(43(8,56)27(47)11-12-39(3,4)61-19(2)45)41(40,6)15-28(48)42(26,7)21(20)13-23(29(18)49)58-38-35(55)33(53)31(51)25(60-38)17-57-37-34(54)32(52)30(50)24(16-44)59-37/h13,22,24-26,30-38,44,46,49-56H,9-12,14-17H2,1-8H3/t22-,24-,25-,26+,30-,31-,32+,33+,34-,35-,36+,37-,38+,40+,41-,42+,43+/m1/s1

InChIKey

InChIKey=VZFXZQQZJZPIGO-NVXXKYPZSA-N

SMILES

C[C@]12[C@]3([C@](C)(C=4C(CC3)=C(C)C(O)=C(O[C@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C4)C(=O)C[C@]1(C)[C@@]([C@@](C(CCC(OC(C)=O)(C)C)=O)(C)O)([C@H](O)C2)[H])[H]

Canonical SMILES

O=C(OC(C)(C)CCC(=O)C(O)(C)C1C(O)CC2(C)C3CCC4=C(C(O)=C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C=C4C3(C(=O)CC12C)C)C)C

Other Names for this Substance

  • 19-Norcholesta-1,3,5(10)-triene-11,22-dione, 25-(acetyloxy)-2-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,16,20-trihydroxy-4,9,14-trimethyl-, (9β,16α)-