9,19-Cyclolanostan-28-oic acid, 24-[(β-D-glucopyranosyloxy)methyl]-1,3,16,24-tetrahydroxy-, β-D-glucopyranosyl ester, (1α,3β,4α,16α)-

CAS Registry Number®

239794-23-1
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CAS Name

9,19-Cyclolanostan-28-oic acid, 24-[(β-D-glucopyranosyloxy)methyl]-1,3,16,24-tetrahydroxy-, β-D-glucopyranosyl ester, (1α,3β,4α,16α)-

Molecular Formula

C43H72O17

Molecular Mass

861.02

Cite this Page

9,19-Cyclolanostan-28-oic acid, 24-[(β-D-glucopyranosyloxy)methyl]-1,3,16,24-tetrahydroxy-, β-D-glucopyranosyl ester, (1α,3β,4α,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=239794-23-1 (retrieved 2024-09-21) (CAS RN: 239794-23-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H72O17/c1-19(2)42(56,18-57-35-33(53)31(51)29(49)22(15-44)58-35)10-9-20(3)28-21(46)14-39(5)24-7-8-25-40(6,37(55)60-36-34(54)32(52)30(50)23(16-45)59-36)26(47)13-27(48)43(25)17-41(24,43)12-11-38(28,39)4/h19-36,44-54,56H,7-18H2,1-6H3/t20-,21-,22-,23-,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,38-,39+,40+,41+,42?,43-/m1/s1

InChIKey

InChIKey=JRBZRACFBGYSHE-XSZNTUEKSA-N

SMILES

O[C@@H]1[C@@]23[C@@]4(C2)[C@]([C@@]5(C)[C@](C)(CC4)[C@@]([C@@H](CCC(CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)(C(C)C)O)C)([C@H](O)C5)[H])(CC[C@]3([C@@](C(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)=O)(C)[C@@H](O)C1)[H])[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)C(O)CC(O)C34CC54CCC6(C)C(C(O)CC6(C)C5CCC23)C(C)CCC(O)(COC7OC(CO)C(O)C(O)C7O)C(C)C

Other Names for this Substance

  • 9,19-Cyclolanostan-28-oic acid, 24-[(β-D-glucopyranosyloxy)methyl]-1,3,16,24-tetrahydroxy-, β-D-glucopyranosyl ester, (1α,3β,4α,16α)-
  • Cyclotricuspidoside C