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Substance Name: Taraxerol
RN: 127-22-0
UNII: A32778O852
InChIKey: GGGUGZHBAOMSFJ-GADYQYKKSA-N

Molecular Formula

  • C30-H50-O

Molecular Weight

  • 426.724
 
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Names and Synonyms

Name of Substance

  • Taraxerol

Synonyms

  • D-Friedoolean-14-en-3beta-ol
  • UNII-A32778O852

Systematic Name

  • D-Friedoolean-14-en-3-ol, (3beta)-

Registry Numbers

CAS Registry Number

  • 127-22-0

FDA UNII

  • A32778O852

System Generated Number

  • 0000127220

Structure Descriptors

InChI

1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1

InChIKey

GGGUGZHBAOMSFJ-GADYQYKKSA-N

Smiles

O[C@@H]1C([C@@H]2CC[C@@]3(C4=CC[C@@]5(CCC(C[C@@H]5[C@@]4(CC[C@H]3[C@@]2(CC1)C)C)(C)C)C)C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 283.5 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.