Olean-12-en-29-oic acid, 3,21,23-trihydroxy-, (3β,4β,20α,21α)-

CAS Registry Number®

20528-70-5
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CAS Name

Olean-12-en-29-oic acid, 3,21,23-trihydroxy-, (3β,4β,20α,21α)-

Molecular Formula

C30H48O5

Molecular Mass

488.70

Cite this Page

Olean-12-en-29-oic acid, 3,21,23-trihydroxy-, (3β,4β,20α,21α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20528-70-5 (retrieved 2024-08-02) (CAS RN: 20528-70-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    285-287 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O5/c1-25-13-14-29(5)18(19(25)15-27(3,24(34)35)23(33)16-25)7-8-21-26(2)11-10-22(32)28(4,17-31)20(26)9-12-30(21,29)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,25-,26-,27-,28+,29+,30+/m0/s1

InChIKey

InChIKey=ZXWLSOQCDSAYHO-RBGQDQRBSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)C[C@@H](O)[C@](C(O)=O)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)([C@](CO)(C)[C@@H](O)CC5)[H])[H]

Canonical SMILES

O=C(O)C1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)CC1O

Other Names for this Substance

  • Olean-12-en-29-oic acid, 3,21,23-trihydroxy-, (3β,4β,20α,21α)-
  • Olean-12-en-29-oic acid, 3β,21α,24-trihydroxy-
  • Liquiridiolic acid
  • Glyyunnansapogenin B1