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Substance Name: alpha-Amyrin benzoate
RN: 4660-99-5
UNII: R1N4CHY77O
InChIKey: IGRQFDSINDYBII-CHJSFGPSSA-N

Molecular Formula

  • C37-H54-O2

Molecular Weight

  • 530.8316
 
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Names and Synonyms

Name of Substance

  • alpha-Amyrin benzoate

Synonyms

  • alpha-Amyrin benzoate
  • alpha-Amyrin benzoate [MI]
  • NSC-156235
  • UNII-R1N4CHY77O
  • URS-12-EN-3-ol, 3-benzoate, (3beta)-
  • URS-12-EN-3-ol, benzoate, (3beta)-
  • URS-12-EN-3beta-ol, benzoate

Registry Numbers

CAS Registry Number

  • 4660-99-5

FDA UNII

  • R1N4CHY77O

System Generated Number

  • 0004660995

Structure Descriptors

InChI

1S/C37H54O2/c1-24-16-19-34(5)22-23-36(7)27(31(34)25(24)2)14-15-29-35(6)20-18-30(39-32(38)26-12-10-9-11-13-26)33(3,4)28(35)17-21-37(29,36)8/h9-14,24-25,28-31H,15-23H2,1-8H3/t24-,25+,28+,29-,30+,31+,34-,35+,36-,37-/m1/s1

InChIKey

IGRQFDSINDYBII-CHJSFGPSSA-N

Smiles

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)c6ccccc6)C)C)[C@@H]2[C@H]1C)C)C