(2α,3β,4α,11α)-2,3,11,23-Tetrahydroxyurs-12-en-28-oic acid

CAS Registry Number®

1268696-96-3

CAS Name

(2α,3β,4α,11α)-2,3,11,23-Tetrahydroxyurs-12-en-28-oic acid

Molecular Formula

C30H48O6

Molecular Mass

504.70

Cite this Page

(2α,3β,4α,11α)-2,3,11,23-Tetrahydroxyurs-12-en-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1268696-96-3 (retrieved 2024-11-22) (CAS RN: 1268696-96-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H48O6/c1-16-7-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)13-19(32)23-26(3)14-20(33)24(34)27(4,15-31)21(26)8-9-29(23,28)6/h13,16-17,19-24,31-34H,7-12,14-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26+,27+,28-,29-,30+/m1/s1

InChIKey

InChIKey=FFPKNVKIBUBHMY-CCEBUSCFSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CC[C@@H](C)[C@@H]4C)[H])=C[C@@H](O)[C@@]1([C@]5(C)[C@@](CC2)([C@@](CO)(C)[C@@H](O)[C@H](O)C5)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)C(C)C2C3=CC(O)C4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Urs-12-en-28-oic acid, 2,3,11,23-tetrahydroxy-, (2α,3β,4α,11α)-
  • (2α,3β,4α,11α)-2,3,11,23-Tetrahydroxyurs-12-en-28-oic acid
  • 2α,3β,11α,23-Tetrahydroxyurs-12-en-28-oic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration