23-Hydroxyursolic acid

CAS Registry Number®

94414-19-4

CAS Name

23-Hydroxyursolic acid

Molecular Formula

C30H48O4

Molecular Mass

472.70

Cite this Page

23-Hydroxyursolic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94414-19-4 (retrieved 2024-12-02) (CAS RN: 94414-19-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    284-286 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1

InChIKey

InChIKey=NZCULBURCGAPSF-PQWKYGPVSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CC[C@@H](C)[C@@H]4C)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)([C@@](CO)(C)[C@@H](O)CC5)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3,23-dihydroxy-, (3β,4α)-
  • (3β,4α)-3,23-Dihydroxyurs-12-en-28-oic acid
  • 23-Hydroxyursolic acid
  • 2-Deoxyasiatic acid
  • (+)-23-Hydroxyursolic acid

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