Methyl (3β)-3-acetoxy-12-oxooleanan-28-oate

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Names

[ CAS No. ]:
25493-94-1

[ Name ]:
Methyl (3β)-3-acetoxy-12-oxooleanan-28-oate

[Synonym ]:
methyl 3-[(ethoxycarbonyl)oxy]-12-hydroxy-7-oxocholan-24-oate
Oleanan-28-oic acid, 3-(acetyloxy)-12-oxo-, methyl ester, (3β)-
methyl 3-acetoxy-12-oxo-13-oleanolate
Methyl (3β)-3-acetoxy-12-oxooleanan-28-oate
Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-7-oxo-5beta-cholan-24-oate

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
558.4±45.0 °C at 760 mmHg

[ Molecular Formula ]:
C33H52O5

[ Molecular Weight ]:
528.763

[ Flash Point ]:
229.8±28.8 °C

[ Exact Mass ]:
528.381470

[ PSA ]:
69.67000

[ LogP ]:
8.44

[ Vapour Pressure ]:
0.0±1.5 mmHg at 25°C

[ Index of Refraction ]:
1.528

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • acetyl oleanolic acid
  • Oleanic acid
  • Methyl oleanolate
  • 3β-acetoxy-12-oxo-olean-28-oic acid
  • 3β-acetoxy-12ξ,13-epoxy-13ξ-oleanan-28-oic acid methyl ester
  • methyl (4aR,4bS,5aR,6aR,6bR,9S,10aR,12aR,12bS,14aS)-9-hydroxy-3,3,6b,10,10,12a,12b-heptamethyloctadecahydro-1H-piceno[12b,13-b]oxirene-14a(5aH)-carboxylate
  • acetic acid

DownStream

  • METHYL 3,12-DIOXOOLEAN-9(11)-EN-28-OATE
  • Methyl (3α,5ξ,18α)-3-hydroxy-12-oxoolean-9(11)-en-28-oate
  • Methyl 3b-acetoxy-12-oxoolean-9(11)-en-28-oate

Related Compounds

  • Methyl 3b-acetoxy-12-oxoolean-9(11)-en-28-oate
  • METHYL 3,12-DIOXOOLEAN-9(11)-EN-28-OATE
  • Methyl 3-acetoxy-27-hydroxylup-20(29)-en-28-oate
  • 3-ACETYLOXY-2-HYDROXY-(2ALPHA,3BETA)-OLEAN-12-EN-28-OIC ACID METHYL ESTER
  • Methyl benthamate
  • methyl helicterate