18444-79-6 (β-维替酮,β-Vetivone)

β-维替酮(18444-79-6)名称与标识符

名称

英文别名:
Spiro[4.5]dec-6-en-8-one,6,10-dimethyl-2-(1-methylethylidene)-, (5R,10R)-;(-)-β-vetivone;6,10-dimethyl-3-propan-2-ylidene-spiro[4.5]dec-9-en-8-one;(5R,10R)-6,10-dimethyl-2-(propan-2-ylidene)spiro[4.5]dec-6-en-8-one;6,10-dimethyl-2-(propan-2-ylidene)spiro[4.5]dec-6-en-8-one;beta-Vetivone;Spiro(4.5)dec-6-en-8-one, 6,10-dimethyl-2-(1-methylethylidene)-, (5R,10R)-;b-Vetivone;(5R,10R)-6,10-Dimethyl-2-(1-methylethylidene)spiro[4.5]dec-6-en-8-one;

标识符

InChIKey:
ISLOGSAEQNKPGG-DOMZBBRYSA-N
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
SMILES:
O=C1C=C(C)[C@]2(C/C(=C(\C)/C)/CC2)[C@H](C)C1

β-维替酮(18444-79-6)物化性质

实验特性

  • PSA : 17.07
  • 折射率 : nD20 1.5309 (liquid, supercooled); nD45 1.5216
  • 沸点 : 299.03°C (rough estimate)
  • 熔点 : 44-46°
  • 比旋光度 : D20 -38.9° (c = 10 in alcohol)
  • 密度 : d420 1.000 (liquid, supercooled); d445 0.9804

计算特性

  • 精确分子量 : 218.16716

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