Diginin

CAS Registry Number®

467-53-8

CAS Name

Diginin

Molecular Formula

C28H40O7

Molecular Mass

488.61

Cite this Page

Diginin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=467-53-8 (retrieved 2024-12-23) (CAS RN: 467-53-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    156-174 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H40O7/c1-13-18-11-19(29)22-17-7-6-15-10-16(35-21-12-20(32-5)24(30)14(2)33-21)8-9-27(15,3)23(17)25(31)26(34-13)28(18,22)4/h6,13-14,16-18,20-24,26,30H,7-12H2,1-5H3

InChIKey

InChIKey=WOLJVUSLKTUJMB-UHFFFAOYSA-N

SMILES

CC12C3C4C(C(=O)C1OC(C)C2CC3=O)C5(C)C(=CC4)CC(OC6CC(OC)C(O)C(C)O6)CC5

Canonical SMILES

O=C1CC2C(OC3C(=O)C4C(CC=C5CC(OC6OC(C)C(O)C(OC)C6)CCC54C)C1C32C)C

Other Names for this Substance

  • Pregn-5-ene-11,15-dione, 3-[(2,6-dideoxy-3-O-methyl-D-lyxo-hexopyranosyl)oxy]-12,20-epoxy-, (3β,12α,14β,17α,20S)-
  • Diginin
  • 14β,17α-Pregn-5-ene-11,15-dione, 3β-(diginosyloxy)-12α,20α-epoxy-
  • (3β,12α,14β,17α,20S)-3-[(2,6-Dideoxy-3-O-methyl-D-lyxo-hexopyranosyl)oxy]-12,20-epoxypregn-5-ene-11,15-dione
  • 3β-(Diginosyloxy)-12α,20α-epoxy-14β,17α-pregn-5-ene-11,15-dione

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.