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Substance Name: beta-Vetivone
RN: 18444-79-6
UNII: V86K3R7R4P
InChIKey: ISLOGSAEQNKPGG-DOMZBBRYSA-N

Molecular Formula

  • C15-H22-O

Molecular Weight

  • 218.3378
 
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Names and Synonyms

Name of Substance

  • beta-Vetivone

Synonyms

  • beta-Vetivone
  • UNII-V86K3R7R4P

Systematic Name

  • Spiro(4.5)dec-6-en-8-one, 6,10-dimethyl-2-(1-methylethylidene)-, (5R,10R)-

Registry Numbers

CAS Registry Number

  • 18444-79-6

FDA UNII

  • V86K3R7R4P

System Generated Number

  • 0018444796

Structure Descriptors

InChI

1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12H,5-6,8-9H2,1-4H3/t12-,15+/m1/s1

InChIKey

ISLOGSAEQNKPGG-DOMZBBRYSA-N

Smiles

C[C@@H]1CC(=O)C=C(C)[C@@]12CCC(=C(C)C)C2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 44.5 deg C   EXP
log P (octanol-water) 5.280 (none)   EST
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

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