Caudatin

CAS Registry Number®

38395-02-7

CAS Name

Caudatin

Molecular Formula

C28H42O7

Molecular Mass

490.63

Cite this Page

Caudatin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38395-02-7 (retrieved 2024-11-25) (CAS RN: 38395-02-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H42O7/c1-16(2)17(3)13-23(31)35-22-15-21-24(5)9-8-20(30)14-19(24)7-10-27(21,33)28(34)12-11-26(32,18(4)29)25(22,28)6/h7,13,16,20-22,30,32-34H,8-12,14-15H2,1-6H3/b17-13+/t20-,21+,22+,24-,25+,26+,27-,28+/m0/s1

InChIKey

InChIKey=VWLXIXALPNYWFH-UXGQNDOZSA-N

SMILES

C[C@@]12[C@@](O)([C@@]3(O)[C@](C[C@H]1OC(/C=C(/C(C)C)\C)=O)([C@]4(C)C(=CC3)C[C@@H](O)CC4)[H])CC[C@]2(C(C)=O)O

Canonical SMILES

O=C(OC1CC2C(O)(CC=C3CC(O)CCC32C)C4(O)CCC(O)(C(=O)C)C14C)C=C(C)C(C)C

Other Names for this Substance

  • Pregn-5-en-20-one, 12-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-3,8,14,17-tetrahydroxy-, (3β,12β,14β,17α)-
  • Pregn-5-en-20-one, 12-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-3,8,14,17-tetrahydroxy-, [3β,12β(E),14β,17α]-
  • (3β,12β,14β,17α)-12-[[(2E)-3,4-Dimethyl-1-oxo-2-pentenyl]oxy]-3,8,14,17-tetrahydroxypregn-5-en-20-one
  • Caudatin

Deleted or Replaced CAS Registry Numbers

182511-55-3

CAS INSIGHTSTM
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