(3β,6α)-3,6,19-Trihydroxyurs-12-en-28-oic acid

CAS Registry Number®

130289-31-5

CAS Name

(3β,6α)-3,6,19-Trihydroxyurs-12-en-28-oic acid

Molecular Formula

C30H48O5

Molecular Mass

488.70

Cite this Page

(3β,6α)-3,6,19-Trihydroxyurs-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=130289-31-5 (retrieved 2024-11-24) (CAS RN: 130289-31-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    270-272 °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)8-9-20-26(4)12-11-21(32)25(2,3)23(26)19(31)16-28(20,27)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=JPGOJQJBPLCRQP-RLLACWQESA-N

SMILES

C[C@]12C([C@]3([C@@](C(O)=O)(CC1)CC[C@@H](C)[C@@]3(C)O)[H])=CC[C@]4([C@@]2(C)C[C@H](O)[C@@]5([C@]4(C)CC[C@H](O)C5(C)C)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)C(O)(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC4(C)C3(C)CC1

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3,6,19-trihydroxy-, (3β,6α)-
  • (3β,6α)-3,6,19-Trihydroxyurs-12-en-28-oic acid
  • 3β,6α,19α-Trihydroxyurus-12-en-28-oic acid

CAS INSIGHTSTM
Hourglass and a clock