Caudatin 3-O-β-cymaropyranoside

CAS Registry Number®

182363-54-8

CAS Name

Caudatin 3-O-β-cymaropyranoside

Molecular Formula

C35H54O10

Molecular Mass

634.80

Cite this Page

Caudatin 3-O-β-cymaropyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=182363-54-8 (retrieved 2024-11-08) (CAS RN: 182363-54-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H54O10/c1-19(2)20(3)15-28(37)45-27-18-26-31(6)11-10-24(44-29-17-25(42-8)30(38)21(4)43-29)16-23(31)9-12-34(26,40)35(41)14-13-33(39,22(5)36)32(27,35)7/h9,15,19,21,24-27,29-30,38-41H,10-14,16-18H2,1-8H3/b20-15+/t21-,24+,25+,26-,27-,29+,30-,31+,32-,33-,34+,35-/m1/s1

InChIKey

InChIKey=HXGDOYDEDXYRPY-MHKUKWNSSA-N

SMILES

O[C@]12[C@](C)([C@H](OC(/C=C(/C(C)C)\C)=O)C[C@]3([C@@]1(O)CC=C4[C@]3(C)CC[C@H](O[C@H]5C[C@H](OC)[C@H](O)[C@@H](C)O5)C4)[H])[C@@](C(C)=O)(O)CC2

Canonical SMILES

O=C(OC1CC2C(O)(CC=C3CC(OC4OC(C)C(O)C(OC)C4)CCC32C)C5(O)CCC(O)(C(=O)C)C15C)C=C(C)C(C)C

Other Names for this Substance

  • Pregn-5-en-20-one, 3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-12-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-8,14,17-trihydroxy-, (12β,14β,17α)-
  • (12β,14β,17α)-3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-12-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-8,14,17-trihydroxypregn-5-en-20-one
  • Caudatin 3-O-β-cymaropyranoside
  • Caudatin 3-O-β-D-cymaropyranoside
  • Caudatin-β-D-cymaropyranoside

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles