Methyl (2α,3β)-2,3-dihydroxyolean-12-en-28-oate

CAS Registry Number®

22425-82-7

CAS Name

Methyl (2α,3β)-2,3-dihydroxyolean-12-en-28-oate

Molecular Formula

C31H50O4

Molecular Mass

486.73

Cite this Page

Methyl (2α,3β)-2,3-dihydroxyolean-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22425-82-7 (retrieved 2024-12-23) (CAS RN: 22425-82-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    214-216 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21+,22-,23+,24-,28-,29+,30+,31-/m0/s1

InChIKey

InChIKey=OTDUGESKRJHFHR-SUXCAEKLSA-N

SMILES

C(OC)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O)[C@H](O)C5)[H])[H])(CC(C)(C)CC2)[H]

Canonical SMILES

O=C(OC)C12CCC(C)(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-en-28-oic acid, 2,3-dihydroxy-, methyl ester, (2α,3β)-
  • Olean-12-en-28-oic acid, 2α,3β-dihydroxy-, methyl ester
  • Maslinic acid, methyl ester
  • Methyl (2α,3β)-2,3-dihydroxyolean-12-en-28-oate
  • Crategolic acid methyl ester

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CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.