Olean-12-ene-28,29-dioic acid, 2,3-dihydroxy-, 29-methyl ester, (2β,3β,20β)-

CAS Registry Number®

75206-90-5
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CAS Name

Olean-12-ene-28,29-dioic acid, 2,3-dihydroxy-, 29-methyl ester, (2β,3β,20β)-

Molecular Formula

C31H48O6

Molecular Mass

516.71

Cite this Page

Olean-12-ene-28,29-dioic acid, 2,3-dihydroxy-, 29-methyl ester, (2β,3β,20β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75206-90-5 (retrieved 2024-09-19) (CAS RN: 75206-90-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    208-209 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H48O6/c1-26(2)21-10-11-30(6)22(28(21,4)17-20(32)23(26)33)9-8-18-19-16-27(3,25(36)37-7)12-14-31(19,24(34)35)15-13-29(18,30)5/h8,19-23,32-33H,9-17H2,1-7H3,(H,34,35)/t19-,20-,21-,22+,23-,27-,28-,29+,30+,31-/m0/s1

InChIKey

InChIKey=XINANDRKNJRDBH-FIWGCQCRSA-N

SMILES

C(O)(=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])(C[C@](C(OC)=O)(C)CC2)[H]

Canonical SMILES

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

Other Names for this Substance

  • Olean-12-ene-28,29-dioic acid, 2,3-dihydroxy-, 29-methyl ester, (2β,3β,20β)-
  • Pokeberrygenin