(2α,3α,4β)-2,3-Dihydroxyurs-12-en-23-oic acid

CAS Registry Number®

164920-64-3
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CAS Name

(2α,3α,4β)-2,3-Dihydroxyurs-12-en-23-oic acid

Molecular Formula

C30H48O4

Molecular Mass

472.70

Cite this Page

(2α,3α,4β)-2,3-Dihydroxyurs-12-en-23-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=164920-64-3 (retrieved 2024-09-19) (CAS RN: 164920-64-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H48O4/c1-17-10-12-26(3)14-15-28(5)19(23(26)18(17)2)8-9-21-27(4)16-20(31)24(32)30(7,25(33)34)22(27)11-13-29(21,28)6/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21-,22-,23+,24-,26-,27-,28-,29-,30-/m1/s1

InChIKey

InChIKey=CAQINDLNYJDVHH-YZRPLIBHSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@](C(O)=O)(C)[C@H](O)[C@H](O)C3)[H])(CC=C4[C@@]2(C)CC[C@]5(C)[C@]4([C@@H](C)[C@H](C)CC5)[H])[H]

Canonical SMILES

O=C(O)C1(C)C(O)C(O)CC2(C)C1CCC3(C)C2CC=C4C5C(C)C(C)CCC5(C)CCC43C

Other Names for this Substance

  • Urs-12-en-23-oic acid, 2,3-dihydroxy-, (2α,3α,4β)-
  • (2α,3α,4β)-2,3-Dihydroxyurs-12-en-23-oic acid
  • 2α,3α,4β-Dihydroxyurs-12-en-23-oic acid
  • 2α,3α-Dihydroxy-urs-12-en-24-oic acid
  • 2a,3a, 24-Thrihydroxyurs-12-en-24-ursolic acid