(3β,4α)-19,23-Dihydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]urs-12-en-28-oic acid

CAS Registry Number®

144624-03-3
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CAS Name

(3β,4α)-19,23-Dihydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]urs-12-en-28-oic acid

Molecular Formula

C39H54O7

Molecular Mass

634.84

Cite this Page

(3β,4α)-19,23-Dihydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]urs-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=144624-03-3 (retrieved 2024-09-19) (CAS RN: 144624-03-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H54O7/c1-24-15-20-39(33(43)44)22-21-36(4)27(32(39)38(24,6)45)12-13-29-34(2)18-17-30(35(3,23-40)28(34)16-19-37(29,36)5)46-31(42)14-9-25-7-10-26(41)11-8-25/h7-12,14,24,28-30,32,40-41,45H,13,15-23H2,1-6H3,(H,43,44)/b14-9+/t24-,28-,29-,30+,32-,34+,35+,36-,37-,38-,39+/m1/s1

InChIKey

InChIKey=WSWPNGAODCKAHB-IFRVZBAOSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](CO)(C)[C@@H](OC(/C=C/C6=CC=C(O)C=C6)=O)CC5)[H])[H])([C@](C)(O)[C@H](C)CC2)[H]

Canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5C(O)(C)C(C)CCC5(C(=O)O)CCC43C)C1(C)CO)C=CC6=CC=C(O)C=C6

Other Names for this Substance

  • Urs-12-en-28-oic acid, 19,23-dihydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (3β,4α)-
  • Urs-12-en-28-oic acid, 19,23-dihydroxy-3-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-, [3β(E),4α]-
  • Urs-12-en-28-oic acid, 19,23-dihydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-, (3β,4α)-
  • (3β,4α)-19,23-Dihydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]urs-12-en-28-oic acid