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Substance Name: Norcholanic acid
RN: 511-18-2
UNII: S794U3XDGZ
InChIKey: UNDDRXNWYMVMIX-RDIILWCNSA-N

Molecular Formula

  • C23-H38-O2

Molecular Weight

  • 346.5512
 
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Names and Synonyms

Name of Substance

  • Norcholanic acid

Synonyms

  • EINECS 208-125-4
  • UNII-S794U3XDGZ

Systematic Name

  • 24-Nor-5beta-cholan-23-oic acid

Registry Numbers

CAS Registry Number

  • 511-18-2

FDA UNII

  • S794U3XDGZ

System Generated Number

  • 0000511182

Structure Descriptors

InChI

1S/C23H38O2/c1-15(14-21(24)25)18-9-10-19-17-8-7-16-6-4-5-12-22(16,2)20(17)11-13-23(18,19)3/h15-20H,4-14H2,1-3H3,(H,24,25)/t15-,16+,17+,18-,19+,20+,22+,23-/m1/s1

InChIKey

UNDDRXNWYMVMIX-RDIILWCNSA-N

Smiles

C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 177 deg C   EXP
log P (octanol-water) 7.230 (none)   EST
Atmospheric OH Rate Constant 3.34E-11 cm3/molecule-sec 25 EST

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