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Substance Name: Cholanic acid
RN: 25312-65-6
UNII: NS0L7RS7DA
InChIKey: RPKLZQLYODPWTM-KBMWBBLPSA-N

Molecular Formula

  • C24-H40-O2

Molecular Weight

  • 360.578
 
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Names and Synonyms

Name of Substance

  • Cholanic acid

Synonyms

  • EINECS 246-816-2
  • UNII-NS0L7RS7DA

Systematic Name

  • Cholan-24-oic acid

Registry Numbers

CAS Registry Number

  • 25312-65-6

FDA UNII

  • NS0L7RS7DA

System Generated Number

  • 0025312656

Structure Descriptors

InChI

1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17?,18+,19-,20+,21+,23+,24-/m1/s1

InChIKey

RPKLZQLYODPWTM-KBMWBBLPSA-N

Smiles

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 163.5 deg C   EXP
log P (octanol-water) 7.730 (none)   EST
Atmospheric OH Rate Constant 3.48E-11 cm3/molecule-sec 25 EST

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