3β-O-(trans-p-Coumaroyl)maslinic acid

CAS Registry Number®

35482-91-8

CAS Name

3β-O-(trans-p-Coumaroyl)maslinic acid

Molecular Formula

C39H54O6

Molecular Mass

618.84

Cite this Page

3β-O-(trans-p-Coumaroyl)maslinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35482-91-8 (retrieved 2024-11-24) (CAS RN: 35482-91-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    190-194 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44)/b15-10+/t27-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1

InChIKey

InChIKey=KWLOAKAXMOYBRK-DBNVPYPFSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CCC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](OC(/C=C/C6=CC=C(O)C=C6)=O)[C@H](O)C5)[H])[H]

Canonical SMILES

O=C(OC1C(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C1(C)C)C=CC6=CC=C(O)C=C6

Other Names for this Substance

  • Olean-12-en-28-oic acid, 2-hydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (2α,3β)-
  • Olean-12-en-28-oic acid, 2-hydroxy-3-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-, [2α,3β(E)]-
  • Olean-12-en-28-oic acid, 2-hydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-, (2α,3β)-
  • (2α,3β)-2-Hydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]olean-12-en-28-oic acid
  • 3β-O-(trans-p-Coumaroyl)maslinic acid

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