(3α,4α)-3-[[(2E)-1-Oxo-3-phenyl-2-propen-1-yl]oxy]kaur-16-en-18-oic acid

CAS Registry Number®

79406-10-3
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CAS Name

(3α,4α)-3-[[(2E)-1-Oxo-3-phenyl-2-propen-1-yl]oxy]kaur-16-en-18-oic acid

Molecular Formula

C29H36O4

Molecular Mass

448.59

Cite this Page

(3α,4α)-3-[[(2E)-1-Oxo-3-phenyl-2-propen-1-yl]oxy]kaur-16-en-18-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79406-10-3 (retrieved 2024-08-30) (CAS RN: 79406-10-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H36O4/c1-19-17-29-16-13-22-27(2,23(29)11-10-21(19)18-29)15-14-24(28(22,3)26(31)32)33-25(30)12-9-20-7-5-4-6-8-20/h4-9,12,21-24H,1,10-11,13-18H2,2-3H3,(H,31,32)/b12-9+/t21-,22+,23+,24-,27-,28+,29-/m1/s1

InChIKey

InChIKey=BJQOPHXIKHSJOP-OLJRGKMISA-N

SMILES

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

Canonical SMILES

O=C(OC1CCC2(C)C(CCC34CC(=C)C(CCC32)C4)C1(C(=O)O)C)C=CC=5C=CC=CC5

Other Names for this Substance

  • Kaur-16-en-18-oic acid, 3-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, (3α,4α)-
  • Kaur-16-en-18-oic acid, 3-[(1-oxo-3-phenyl-2-propenyl)oxy]-, [3α(E),4α]-
  • Kaur-16-en-18-oic acid, 3-[[(2E)-1-oxo-3-phenyl-2-propenyl]oxy]-, (3α,4α)-
  • (3α,4α)-3-[[(2E)-1-Oxo-3-phenyl-2-propen-1-yl]oxy]kaur-16-en-18-oic acid
  • 3α-Cinnamoyloxy-ent-kaur-16-en-19-oic acid

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