Pomolic acid

CAS Registry Number®

13849-91-7

CAS Name

Pomolic acid

Molecular Formula

C30H48O4

Molecular Mass

472.70

Cite this Page

Pomolic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13849-91-7 (retrieved 2024-11-22) (CAS RN: 13849-91-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    297-299 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1

InChIKey

InChIKey=ZZTYPLSBNNGEIS-OPAXANQDSA-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)CC5)[H])[H])([C@](C)(O)[C@H](C)CC2)[H]

Canonical SMILES

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

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3,19-dihydroxy-, (3β)-
  • Urs-12-en-28-oic acid, 3β,19-dihydroxy-
  • (3β)-3,19-Dihydroxyurs-12-en-28-oic acid
  • Benthamic acid
  • Pomolic acid

View All

Deleted or Replaced CAS Registry Numbers

11045-21-9, 11046-60-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration