Desglucocheirotoxin

CAS Registry Number®

5822-57-1
No image available.

CAS Name

Desglucocheirotoxin

Molecular Formula

C29H42O10

Molecular Mass

550.64

Cite this Page

Desglucocheirotoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5822-57-1 (retrieved 2024-09-19) (CAS RN: 5822-57-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    188-189 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17+,18-,19+,20-,22+,23-,24-,25+,26-,27+,28+,29+/m1/s1

InChIKey

InChIKey=HULMNSIAKWANQO-PZXOABCJSA-N

SMILES

C(=O)[C@@]12[C@@]3([C@]([C@]4(O)[C@](C)(CC3)[C@H](CC4)C5=CC(=O)OC5)(CC[C@]1(O)C[C@@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@@H](C)O6)CC2)[H])[H]

Canonical SMILES

O=CC12CCC(OC3OC(C)C(O)C(O)C3O)CC2(O)CCC4C1CCC5(C)C(C6=CC(=O)OC6)CCC45O

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(6-deoxy-β-D-gulopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-
  • 5β-Card-20(22)-enolide, 3β-[(6-deoxy-β-D-gulopyranosyl)oxy]-5,14-dihydroxy-19-oxo-
  • Cheirotoxin, degluco-
  • (3β,5β)-3-[(6-Deoxy-β-D-gulopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
  • Desglucocheirotoxin

View All

Deleted or Replaced CAS Registry Numbers

11003-43-3, 30373-97-8