Phenylmethyl (3β)-3-hydroxyolean-12-en-28-oate

CAS Registry Number®

303114-51-4

CAS Name

Phenylmethyl (3β)-3-hydroxyolean-12-en-28-oate

Molecular Formula

C37H54O3

Molecular Mass

546.82

Cite this Page

Phenylmethyl (3β)-3-hydroxyolean-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=303114-51-4 (retrieved 2024-11-05) (CAS RN: 303114-51-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    190-192 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H54O3/c1-32(2)19-21-37(31(39)40-24-25-11-9-8-10-12-25)22-20-35(6)26(27(37)23-32)13-14-29-34(5)17-16-30(38)33(3,4)28(34)15-18-36(29,35)7/h8-13,27-30,38H,14-24H2,1-7H3/t27-,28-,29+,30-,34-,35+,36+,37-/m0/s1

InChIKey

InChIKey=BXPBVHNXTDZAAM-GBVPUKILSA-N

SMILES

C(OCC1=CC=CC=C1)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O)CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(OCC=1C=CC=CC1)C23CCC(C)(C)CC3C4=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-hydroxy-, phenylmethyl ester, (3β)-
  • Phenylmethyl (3β)-3-hydroxyolean-12-en-28-oate
  • Benzyl oleanolate
  • Oleanolic acid benzyl ester

Deleted or Replaced CAS Registry Numbers

2102352-62-3

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles