(3β,5β,7β)-3,7,14-Trihydroxycard-20(22)-enolide
CAS Registry Number®
1173-21-3
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CAS Name
(3β,5β,7β)-3,7,14-Trihydroxycard-20(22)-enolideMolecular Formula
C23H34O5Molecular Mass
390.51Cite this Page
(3β,5β,7β)-3,7,14-Trihydroxycard-20(22)-enolide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1173-21-3 (retrieved ) (CAS RN: 1173-21-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
267-272 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C23H34O5/c1-21-6-3-15(24)10-14(21)11-18(25)20-17(21)4-7-22(2)16(5-8-23(20,22)27)13-9-19(26)28-12-13/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15-,16+,17-,18-,20-,21-,22+,23-/m0/s1
InChIKey
InChIKey=JDQWKADNJIUBND-ANHVKYHNSA-N
SMILES
O[C@@]12[C@]3([C@@]([C@]4(C)[C@](C[C@@H]3O)(C[C@@H](O)CC4)[H])(CC[C@]1(C)[C@H](CC2)C5=CC(=O)OC5)[H])[H]
Canonical SMILES
O=C1OCC(=C1)C2CCC3(O)C4C(O)CC5CC(O)CCC5(C)C4CCC23C
Other Names for this Substance
- Card-20(22)-enolide, 3,7,14-trihydroxy-, (3β,5β,7β)-
- 5β-Card-20(22)-enolide, 3β,7β,14-trihydroxy-
- Digitoxigenin, 7β-hydroxy-
- (3β,5β,7β)-3,7,14-Trihydroxycard-20(22)-enolide
- 7β-Hydroxydigitoxigenin
Deleted or Replaced CAS Registry Numbers
21857-77-2