(3β)-3,27-Bis[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]olean-12-en-28-oic acid

CAS Registry Number®

152509-92-7

CAS Name

(3β)-3,27-Bis[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]olean-12-en-28-oic acid

Molecular Formula

C48H60O8

Molecular Mass

764.99

Cite this Page

(3β)-3,27-Bis[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]olean-12-en-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152509-92-7 (retrieved 2024-11-22) (CAS RN: 152509-92-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H60O8/c1-43(2)25-26-47(42(53)54)27-28-48(30-55-40(51)19-11-31-7-13-33(49)14-8-31)35(36(47)29-43)17-18-38-45(5)23-22-39(44(3,4)37(45)21-24-46(38,48)6)56-41(52)20-12-32-9-15-34(50)16-10-32/h7-17,19-20,36-39,49-50H,18,21-30H2,1-6H3,(H,53,54)/b19-11+,20-12+/t36-,37-,38+,39-,45-,46+,47-,48-/m0/s1

InChIKey

InChIKey=YBOIBOWMTWFCEG-MVYRAAOISA-N

SMILES

C(OC(/C=C/C1=CC=C(O)C=C1)=O)[C@]23[C@@]4(C)[C@@]([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](OC(/C=C/C6=CC=C(O)C=C6)=O)CC5)[H])(CC=C2[C@]7([C@@](C(O)=O)(CC3)CCC(C)(C)C7)[H])[H]

Canonical SMILES

O=C(OCC12C(=CCC3C4(C)CCC(OC(=O)C=CC5=CC=C(O)C=C5)C(C)(C)C4CCC31C)C6CC(C)(C)CCC6(C(=O)O)CC2)C=CC7=CC=C(O)C=C7

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3,27-bis[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (3β)-
  • Olean-12-en-28-oic acid, 3,27-bis[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-, [3β(E),27(E)]-
  • Olean-12-en-28-oic acid, 3,27-bis[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-, (3β)-
  • (3β)-3,27-Bis[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]olean-12-en-28-oic acid
  • Asprellic acid A

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