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Substance Name: Friedelin
RN: 559-74-0
UNII: AK21264UAD
InChIKey: OFMXGFHWLZPCFL-SVRPQWSVSA-N

Molecular Formula

  • C30-H50-O

Molecular Weight

  • 426.724
 
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Names and Synonyms

Name of Substance

  • Friedelin

Synonyms

  • EINECS 209-205-1
  • Friedelan-3-one
  • Friedeline
  • NSC 55141
  • UNII-AK21264UAD

Systematic Names

  • D:A-Friedooleanan-3-one
  • D:A-Friedooleanan-3-one (VAN) (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 559-74-0

FDA UNII

  • AK21264UAD

System Generated Number

  • 0000559740

Structure Descriptors

InChI

1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1

InChIKey

OFMXGFHWLZPCFL-SVRPQWSVSA-N

Smiles

C1C(CC[C@@]2([C@@H]1[C@@]1([C@@](CC2)(C)[C@H]2CC[C@@]3([C@H](C(CC[C@@H]3[C@@]2(CC1)C)=O)C)C)C)C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 263 deg C   EXP
log P (octanol-water) 8.770 (none)   EST
Atmospheric OH Rate Constant 3.24E-11 cm3/molecule-sec 25 EST

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