19-Norcholesta-1,3,5(10)-trien-11-one, 25-(acetyloxy)-2-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,16,20,22-tetrahydroxy-4,9,14-trimethyl-, (9β,16α)-
CAS Registry Number®
CAS Name
19-Norcholesta-1,3,5(10)-trien-11-one, 25-(acetyloxy)-2-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,16,20,22-tetrahydroxy-4,9,14-trimethyl-, (9β,16α)-Molecular Formula
C43H66O18Molecular Mass
870.97Cite this Page
19-Norcholesta-1,3,5(10)-trien-11-one, 25-(acetyloxy)-2-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,16,20,22-tetrahydroxy-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=178062-91-4 (retrieved ) (CAS RN: 178062-91-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C43H66O18/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/h13,22,24-27,30-38,44,46-47,49-56H,9-12,14-17H2,1-8H3/t22-,24-,25-,26+,27?,30-,31-,32+,33+,34-,35-,36+,37-,38-,40+,41-,42+,43+/m1/s1
InChIKey
InChIKey=XLJZVUSWNGLRKV-SQZWGOAKSA-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)-trien-11-one, 25-(acetyloxy)-2-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,16,20,22-tetrahydroxy-4,9,14-trimethyl-, (9β,16α)-