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Substance Name: Methyl (3beta)-3-hydroxyolean-12-en-28-oate
RN: 1724-17-0
InChIKey: BTXWOKJOAGWCSN-JBYJGCOVSA-N

Molecular Formula

  • C31-H50-O3

Molecular Weight

  • 470.733
 
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Names and Synonyms

Synonyms

  • EINECS 217-029-1
  • Methyl oleanolate

Systematic Names

  • Methyl (3beta)-3-hydroxyolean-12-en-28-oate
  • Olean-12-en-28-oic acid, 3-hydroxy-, methyl ester, (3beta)-

Registry Numbers

CAS Registry Number

  • 1724-17-0

System Generated Number

  • 0001724170

Structure Descriptors

InChI

1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1

InChIKey

BTXWOKJOAGWCSN-JBYJGCOVSA-N

Smiles

C=12[C@@H]3CC(C)(C)CC[C@@]3(CC[C@@]2(C)[C@@]2([C@@H]([C@@]3(CC[C@@H](C([C@@H]3CC2)(C)C)O)C)CC1)C)C(=O)OC