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Substance Name: alpha-Amyrin
RN: 638-95-9
UNII: 30ZAG40J8N
InChIKey: FSLPMRQHCOLESF-SFMCKYFRSA-N

Note

  • A 5 ring triterpene derived from taraxasterol that differs from beta-amyrin in having the 29-carbon shifted to the 19 position.

Molecular Formula

  • C30-H50-O

Molecular Weight

  • 426.724
 
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Names and Synonyms

Name of Substance

  • alpha-Amyrin

Synonyms

  • alpha-Amyrenol
  • alpha-Amyrin
  • alpha-Amyrine
  • EINECS 211-352-1
  • NSC 114787
  • UNII-30ZAG40J8N
  • Viminalol

Systematic Names

  • Urs-12-en-3-ol, (3beta)- (9CI)
  • Urs-12-en-3beta-ol

Registry Numbers

CAS Registry Number

  • 638-95-9

FDA UNII

  • 30ZAG40J8N

System Generated Number

  • 0000638959

Structure Descriptors

InChI

1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1

InChIKey

FSLPMRQHCOLESF-SFMCKYFRSA-N

Smiles

C1=2[C@@]([C@@]3(CC[C@@H]4[C@@]([C@H]3CC2)(CC[C@@H](O)C4(C)C)C)C)(CC[C@@]2([C@H]1[C@H]([C@@H](CC2)C)C)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 186 deg C   EXP
log P (octanol-water) 9.160 (none)   EST
Atmospheric OH Rate Constant 1.27E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.