Chemical Compound

Pyracrenic acid

CAS Registry Number 80832-44-6
Pyracrenic acid chemical structure
Primary Record

Pyracrenic acid

In stock
569 g
Purity
98.2 %
CAS
80832-44-6

Compound Identifiers & Properties

CAS
80832-44-6
PubChem CID
6439576
SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)O)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)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Names & Synonyms

  • Pyracrenic acid
  • Pyracrenicacid
  • Pyracenic acid
  • AC1O5RYG
  • RefChem:930308
  • 80832-44-6
  • Betulinic Acid 3Beta-Caffeate
  • orb1681818
  • CHEMBL1077309
  • SCHEMBL14374258
  • CHEBI:70671
  • 3-O-trans-Caffeoylbetulinic acid
  • 3beta-O-trans-caffeoylbetulinic acid
  • NP7138
  • AKOS040762251
  • CID6439576
  • HY-130294
  • J622.952B
  • CS-0106550
  • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
  • Lup-20(29)-en-28-oic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (3beta(E))-
  • Q27139003
  • 3beta-(3,4-Dihydroxycinnamoyloxy)lupa-20(29)-ene-28-oic acid
  • 3beta-(3,4-Dihydroxy-trans-cinnamoyloxy)lupa-20(29)-ene-28-oic acid
  • 3beta-[(3,4-Dihydroxy-trans-cinnamoyl)oxy]lup-20(29)-en-28-oic acid
  • 3beta-[[(E)-3-(3,4-Dihydroxyphenyl)propenoyl]oxy]lup-20(29)-en-28-oic acid
  • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid