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Substance Name: Neocembrene
RN: 31570-39-5
UNII: 2WGK4P4230
InChIKey: VWSPQDDPRITBAM-KPGNMOGWSA-N

Note

  • Isolated from paracloacal glands of the Chinese alligator (Alligator sinensis).

Molecular Formula

  • C20-H32

Molecular Weight

  • 272.473
 
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Names and Synonyms

Name of Substance

  • Cembrene A
  • Neocembrene

Synonyms

  • (-)-Cembrene A
  • (R)-(-)-Cembrene A
  • 1,5,9-Trimethyl-12-(1-methylethenyl)-1,5,9-cyclotetradecatriene
  • Neocembrene A
  • UNII-2WGK4P4230

Systematic Name

  • 1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)-, (R-(E,E,E))-

Registry Numbers

CAS Registry Number

  • 31570-39-5

FDA UNII

  • 2WGK4P4230

Other Registry Numbers

  • 11075-93-7
  • 38748-84-4
  • 41943-02-6

System Generated Number

  • 0031570395

Structure Descriptors

InChI

1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m0/s1

InChIKey

VWSPQDDPRITBAM-KPGNMOGWSA-N

Smiles

C=1C[C@@H](CCC(=CCCC(=CCCC1C)C)C)C(=C)C