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Substance Name: Nimbiol
RN: 561-95-5
UNII: 946NA6450V
InChIKey: XVAVQANUJQBBFF-FUHWJXTLSA-N

Molecular Formula

  • C18-H24-O2

Molecular Weight

  • 272.3856
 
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Names and Synonyms

Name of Substance

  • Nimbiol

Synonyms

  • (+)-Nimbiol
  • (4aS,10aS)-2,3,4,4a,10,10a-Hexahydro-6-hydroxy-1,1,4a,7-tetramethyl-9(1H)-phenanthrenone
  • 9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a,7-tetramethyl-, (4aS,10aS)-
  • Nimbial
  • Nimbiol
  • Nimbiol [MI]
  • Nimbiol, (+)-
  • UNII-946NA6450V

Registry Numbers

CAS Registry Number

  • 561-95-5

FDA UNII

  • 946NA6450V

System Generated Number

  • 0000561955

Structure Descriptors

InChI

1S/C18H24O2/c1-11-8-12-13(9-14(11)19)18(4)7-5-6-17(2,3)16(18)10-15(12)20/h8-9,16,19H,5-7,10H2,1-4H3/t16-,18+/m0/s1

InChIKey

XVAVQANUJQBBFF-FUHWJXTLSA-N

Smiles

Cc1cc2c(cc1O)[C@]3(CCCC([C@@H]3CC2=O)(C)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 250 deg C   EXP
log P (octanol-water) 5.350 (none)   EST
Atmospheric OH Rate Constant 9.94E-11 cm3/molecule-sec 25 EST

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