Tormentic acid

CAS Registry Number®

13850-16-3

CAS Name

Tormentic acid

Molecular Formula

C30H48O5

Molecular Mass

488.70

Cite this Page

Tormentic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13850-16-3 (retrieved 2024-11-22) (CAS RN: 13850-16-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    273 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1

InChIKey

InChIKey=OXVUXGFZHDKYLS-BLIWDXROSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O)[C@H](O)C5)[H])[H])([C@](C)(O)[C@H](C)CC2)[H]

Canonical SMILES

O=C(O)C12CCC(C)C(O)(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2α,3β)-
  • Urs-12-en-28-oic acid, 2α,3β,19-trihydroxy-
  • (2α,3β)-2,3,19-Trihydroxyurs-12-en-28-oic acid
  • Tormentic acid
  • 2α,19α-Dihydroxyursolic acid

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Deleted or Replaced CAS Registry Numbers

11008-23-4