3-Phenyl-2-propen-1-yl (3β,20β)-3-(acetyloxy)-11-oxoolean-12-en-29-oate

CAS Registry Number®

31581-02-9
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CAS Name

3-Phenyl-2-propen-1-yl (3β,20β)-3-(acetyloxy)-11-oxoolean-12-en-29-oate

Molecular Formula

C41H56O5

Molecular Mass

628.88

Cite this Page

3-Phenyl-2-propen-1-yl (3β,20β)-3-(acetyloxy)-11-oxoolean-12-en-29-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31581-02-9 (retrieved 2024-05-16) (CAS RN: 31581-02-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H56O5/c1-27(42)46-33-17-18-39(6)32(36(33,2)3)16-19-41(8)34(39)31(43)25-29-30-26-38(5,21-20-37(30,4)22-23-40(29,41)7)35(44)45-24-12-15-28-13-10-9-11-14-28/h9-15,25,30,32-34H,16-24,26H2,1-8H3/t30-,32-,33-,34+,37+,38-,39-,40+,41+/m0/s1

InChIKey

InChIKey=QTPSNPBHOMYPHQ-DNZQTCPLSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)CC[C@@](C(OCC=CC5=CC=CC=C5)=O)(C)C4)[H])=CC(=O)[C@@]1([C@]6(C)[C@@](CC2)(C(C)(C)[C@@H](OC(C)=O)CC6)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C3C(=O)C=C4C5CC(C(=O)OCC=CC=6C=CC=CC6)(C)CCC5(C)CCC4(C)C3(C)CCC2C1(C)C)C

Other Names for this Substance

  • Olean-12-en-29-oic acid, 3-(acetyloxy)-11-oxo-, 3-phenyl-2-propen-1-yl ester, (3β,20β)-
  • Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, cinnamyl ester, acetate
  • Olean-12-en-29-oic acid, 3-(acetyloxy)-11-oxo-, 3-phenyl-2-propenyl ester, (3β,20β)-
  • 3-Phenyl-2-propen-1-yl (3β,20β)-3-(acetyloxy)-11-oxoolean-12-en-29-oate
  • Cinoxolone

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