(9β,10α,16α)-23-[(4R)-5,5-Dimethyl-2-oxo-4-oxazolidinyl]-2-(β-D-glucopyranosyloxy)-16,20-dihydroxy-4,4,9,14-tetramethyl-19,24-dinorchola-1,5-diene-3,11,22-trione

CAS Registry Number®

1345690-57-4

CAS Name

(9β,10α,16α)-23-[(4R)-5,5-Dimethyl-2-oxo-4-oxazolidinyl]-2-(β-D-glucopyranosyloxy)-16,20-dihydroxy-4,4,9,14-tetramethyl-19,24-dinorchola-1,5-diene-3,11,22-trione

Molecular Formula

C37H53NO13

Molecular Mass

719.82

Cite this Page

(9β,10α,16α)-23-[(4R)-5,5-Dimethyl-2-oxo-4-oxazolidinyl]-2-(β-D-glucopyranosyloxy)-16,20-dihydroxy-4,4,9,14-tetramethyl-19,24-dinorchola-1,5-diene-3,11,22-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1345690-57-4 (retrieved 2024-11-05) (CAS RN: 1345690-57-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H53NO13/c1-32(2)16-9-10-21-34(5)13-18(40)28(37(8,48)23(41)12-22-33(3,4)51-31(47)38-22)35(34,6)14-24(42)36(21,7)17(16)11-19(29(32)46)49-30-27(45)26(44)25(43)20(15-39)50-30/h9,11,17-18,20-22,25-28,30,39-40,43-45,48H,10,12-15H2,1-8H3,(H,38,47)/t17-,18-,20-,21+,22-,25-,26+,27-,28+,30-,34+,35-,36+,37+/m1/s1

InChIKey

InChIKey=LSGLQIRVQKVXDL-QZWHHHJSSA-N

SMILES

C[C@]12[C@]3([C@](C)([C@]4(C(=CC3)C(C)(C)C(=O)C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C4)[H])C(=O)C[C@]1(C)[C@@]([C@@](C(C[C@@H]6C(C)(C)OC(=O)N6)=O)(C)O)([C@H](O)C2)[H])[H]

Canonical SMILES

O=C1OC(C)(C)C(N1)CC(=O)C(O)(C)C2C(O)CC3(C)C4CC=C5C(C=C(OC6OC(CO)C(O)C(O)C6O)C(=O)C5(C)C)C4(C(=O)CC23C)C

Other Names for this Substance

  • 19,24-Dinorchola-1,5-diene-3,11,22-trione, 23-[(4R)-5,5-dimethyl-2-oxo-4-oxazolidinyl]-2-(β-D-glucopyranosyloxy)-16,20-dihydroxy-4,4,9,14-tetramethyl-, (9β,10α,16α)-
  • (9β,10α,16α)-23-[(4R)-5,5-Dimethyl-2-oxo-4-oxazolidinyl]-2-(β-D-glucopyranosyloxy)-16,20-dihydroxy-4,4,9,14-tetramethyl-19,24-dinorchola-1,5-diene-3,11,22-trione

CAS INSIGHTSTM
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