(2β,3β,5β,22R)-3-(β-D-Glucopyranosyloxy)-2,14,20,22-tetrahydroxycholest-7-en-6-one

CAS Registry Number®

20117-33-3

CAS Name

(2β,3β,5β,22R)-3-(β-D-Glucopyranosyloxy)-2,14,20,22-tetrahydroxycholest-7-en-6-one

Molecular Formula

C33H54O11

Molecular Mass

626.78

Cite this Page

(2β,3β,5β,22R)-3-(β-D-Glucopyranosyloxy)-2,14,20,22-tetrahydroxycholest-7-en-6-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20117-33-3 (retrieved 2024-11-26) (CAS RN: 20117-33-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H54O11/c1-16(2)6-7-25(37)32(5,41)24-9-11-33(42)18-12-20(35)19-13-22(43-29-28(40)27(39)26(38)23(15-34)44-29)21(36)14-30(19,3)17(18)8-10-31(24,33)4/h12,16-17,19,21-29,34,36-42H,6-11,13-15H2,1-5H3/t17-,19-,21-,22+,23+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+/m0/s1

InChIKey

InChIKey=CNAKQRUFJWYXIC-PPOCGGKUSA-N

SMILES

O[C@]12C=3[C@@]([C@]4(C)[C@](C(=O)C3)(C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C4)[H])(CC[C@]1(C)[C@@]([C@@]([C@@H](CCC(C)C)O)(C)O)(CC2)[H])[H]

Canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C)C(O)CCC(C)C)C4(C)CC(O)C(OC5OC(CO)C(O)C(O)C5O)CC14

Other Names for this Substance

  • Cholest-7-en-6-one, 3-(β-D-glucopyranosyloxy)-2,14,20,22-tetrahydroxy-, (2β,3β,5β,22R)-
  • Ponasteroside A
  • (2β,3β,5β,22R)-3-(β-D-Glucopyranosyloxy)-2,14,20,22-tetrahydroxycholest-7-en-6-one

Deleted or Replaced CAS Registry Numbers

22671-24-5

CAS INSIGHTSTM
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