Isomangiferolic acid

CAS Registry Number®

13878-92-7

CAS Name

Isomangiferolic acid

Molecular Formula

C30H48O3

Molecular Mass

456.70

Cite this Page

Isomangiferolic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13878-92-7 (retrieved 2025-01-21) (CAS RN: 13878-92-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H48O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+/t19-,21-,22+,23+,24-,27-,28+,29-,30+/m1/s1

InChIKey

InChIKey=CYHOTEDWAOHQLA-AKGXXHIGSA-N

SMILES

C[C@]12[C@]3([C@]4([C@]5(C4)[C@](C(C)(C)[C@H](O)CC5)(CC3)[H])CC[C@]1(C)[C@@]([C@@H](CC/C=C(/C(O)=O)\C)C)(CC2)[H])[H]

Canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC54CC35CCC12C)C

Other Names for this Substance

  • 9,19-Cyclolanost-24-en-26-oic acid, 3-hydroxy-, (3α,24E)-
  • 9,19-Cyclo-9β-lanost-24-en-26-oic acid, 3α-hydroxy-
  • (3α,24E)-3-Hydroxy-9,19-cyclolanost-24-en-26-oic acid
  • Isomangiferolic acid

Deleted or Replaced CAS Registry Numbers

11009-30-6