(3β,5β,16β)-3-[(O-2,6-Dideoxy-3,4-di-O-formyl-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-3-O-formyl-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-formyl-β-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxycard-20(22)-enolide

CAS Registry Number®

10176-39-3
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CAS Name

(3β,5β,16β)-3-[(O-2,6-Dideoxy-3,4-di-O-formyl-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-3-O-formyl-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-formyl-β-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxycard-20(22)-enolide

Molecular Formula

C46H64O19

Molecular Mass

920.99

Cite this Page

(3β,5β,16β)-3-[(O-2,6-Dideoxy-3,4-di-O-formyl-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-3-O-formyl-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-formyl-β-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxycard-20(22)-enolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=10176-39-3 (retrieved 2024-04-25) (CAS RN: 10176-39-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H64O19/c1-24-41(59-23-51)32(55-19-47)14-38(60-24)64-43-26(3)62-39(16-34(43)57-21-49)65-42-25(2)61-37(15-33(42)56-20-48)63-29-8-10-44(4)28(13-29)6-7-31-30(44)9-11-45(5)40(27-12-36(52)54-18-27)35(58-22-50)17-46(31,45)53/h12,19-26,28-35,37-43,53H,6-11,13-18H2,1-5H3

InChIKey

InChIKey=DOMHWKQEPDYUQX-UHFFFAOYSA-N

SMILES

OC12C(C)(C(C(OC=O)C1)C3=CC(=O)OC3)CCC4C2CCC5C4(C)CCC(OC6CC(OC=O)C(OC7CC(OC=O)C(OC8CC(OC=O)C(OC=O)C(C)O8)C(C)O7)C(C)O6)C5

Canonical SMILES

O=COC1CC(OC(C)C1OC=O)OC2C(OC(OC3C(OC(OC4CCC5(C)C(CCC6C5CCC7(C)C(C8=CC(=O)OC8)C(OC=O)CC67O)C4)CC3OC=O)C)CC2OC=O)C

Other Names for this Substance

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

View All

Deleted or Replaced CAS Registry Numbers

7685-23-6, 57512-70-6

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