Chemical Compound

(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-9-hydroxy-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

CAS Registry Number 67911-63-1
(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-9-hydroxy-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid 结构式
Primary record

(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-9-hydroxy-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

库存
9,412 克
纯度
98.7 %
CAS
67911-63-1

化合物标识与属性

CAS
67911-63-1
PubChem CID
70697870
SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)OC(=O)/C=C/C6=CC=C(C=C6)O)C)C)C(=O)O
Canonical SMILES
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

名称与同义词

  • RefChem:1063958
  • 2-O-E-p-coumaroyl alphitolic acid
  • CHEBI:65662
  • 2-O-trans-p-Coumaroylalphitolic acid
  • trans-Coumaroyl alphitolic acid
  • orb2564226
  • CHEMBL3736080
  • SCHEMBL29886385
  • HY-N12744
  • CS-1048679
  • J2.299.791B
  • Q27134144
  • 2alpha-(4-Hydroxycinnamoyloxy)-3beta-hydroxylupa-20(29)-ene-28-oic acid
  • 67911-63-1
  • 2alpha-[(E)-3-(4-Hydroxyphenyl)acryloyloxy]-3beta-hydroxylupa-20(29)-ene-28-oic acid
  • (1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-9-hydroxy-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
  • (2alpha,3beta)-3-hydroxy-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}lup-20(29)-en-28-oic acid