Barringtogenol C

CAS Registry Number®

13844-01-4
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CAS Name

Barringtogenol C

Molecular Formula

C30H50O5

Molecular Mass

490.71

Cite this Page

Barringtogenol C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13844-01-4 (retrieved 2024-07-05) (CAS RN: 13844-01-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    315-320 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1

InChIKey

InChIKey=AYDKOFQQBHRXEW-AAUPIIFFSA-N

SMILES

C(O)[C@]12[C@](C=3[C@@](C)(C[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O)CC5)[H])[H])(CC(C)(C)[C@@H](O)[C@@H]2O)[H]

Canonical SMILES

OCC12C(O)CC3(C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC(C)(C)C(O)C1O)C

Other Names for this Substance

  • Olean-12-ene-3,16,21,22,28-pentol, (3β,16α,21β,22α)-
  • Barringtogenol C
  • Jegosapogenol
  • Olean-12-ene-3β,16α,21β,22α,28-pentol
  • (3β,16α,21β,22α)-Olean-12-ene-3,16,21,22,28-pentol

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Deleted or Replaced CAS Registry Numbers

107204-06-8, 11010-04-1