Gitaloxin

CAS Registry Number®

3261-53-8

CAS Name

Gitaloxin

Molecular Formula

C42H64O15

Molecular Mass

808.95

Cite this Page

Gitaloxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3261-53-8 (retrieved 2024-10-01) (CAS RN: 3261-53-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    250-253 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C42H64O15/c1-20-37(48)28(44)14-34(52-20)56-39-22(3)54-35(16-30(39)46)57-38-21(2)53-33(15-29(38)45)55-25-8-10-40(4)24(13-25)6-7-27-26(40)9-11-41(5)36(23-12-32(47)50-18-23)31(51-19-43)17-42(27,41)49/h12,19-22,24-31,33-39,44-46,48-49H,6-11,13-18H2,1-5H3

InChIKey

InChIKey=GZZJHPZDXZCDDA-UHFFFAOYSA-N

SMILES

CC12C(O)(C3C(CC1)C4(C)C(CC3)CC(OC5CC(O)C(OC6CC(O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)CC4)CC(OC=O)C2C=8COC(=O)C8

Canonical SMILES

O=COC1CC2(O)C3CCC4CC(OC5OC(C)C(OC6OC(C)C(OC7OC(C)C(O)C(O)C7)C(O)C6)C(O)C5)CCC4(C)C3CCC2(C)C1C8=CC(=O)OC8

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxy-, (3β,5β,16β)-
  • Gitoxin, 16-formate
  • (3β,5β,16β)-3-[(O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxycard-20(22)-enolide
  • Gitaloxin
  • 16-Formylgitoxin

View All

Deleted or Replaced CAS Registry Numbers

82476-62-8

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox