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Substance Name: beta-Amyrin
RN: 559-70-6
UNII: KM8353IPSO
InChIKey: JFSHUTJDVKUMTJ-QHPUVITPSA-N

Note

  • A 5 ring triterpene derived from oleanane that differs from alpha-amyrin in having the 29-carbon at the 20 position.

Molecular Formula

  • C30-H50-O

Molecular Weight

  • 426.724
 
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Names and Synonyms

Results Name

  • beta-Amyrin

Name of Substance

  • Amyrin

Synonyms

  • beta-Amyrenol
  • beta-Amyrin
  • EINECS 209-204-6
  • NSC 527971
  • UNII-KM8353IPSO

Systematic Names

  • Olean-12-en-3-ol, (3beta)-
  • Olean-12-en-3beta-ol

Registry Numbers

CAS Registry Number

  • 559-70-6

FDA UNII

  • KM8353IPSO

System Generated Number

  • 0000559706

Structure Descriptors

InChI

InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1

InChIKey

JFSHUTJDVKUMTJ-QHPUVITPSA-N

Smiles

CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 197 deg C   EXP
log P (octanol-water) 9.190 (none)   EST
Atmospheric OH Rate Constant 1.23E-10 cm3/molecule-sec 25 EST

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