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Home> Encyclopedia > Hot Product Listed 2   > 2,6,10-Tridecatrien-1-ol,13-[(2S)-3,3-dimethyl-2-oxiranyl]-3,7,11-trimethyl-, (2E,6E,10E)-
933709-26-3 structure

2,6,10-Tridecatrien-1-ol,13-[(2S)-3,3-dimethyl-2-oxiranyl]-3,7,11-trimethyl-, (2E,6E,10E)-

Iupac Name:1-phenylpyrrolidine-3-carboxylic acid
CAS No.:933709-26-3
Molecular Weight:191.23
Molecular Formula:C29H20CLN7O11S3 (isomer)
Names and Identifiers
Synonyms

(S)-14,15-Epoxygeranylgeraniol 2,6,10-Hexadecatrien-1-ol,14,15-epoxy-3,7,11,15-tetramethyl-, (E,E,E)- (8CI) 2,6,10-Tridecatrien-1-ol,13-(3,3-dimethyloxiranyl)-3,7,11-trimethyl-, [S-(E,E,E)]- (9CI) All-trans-(-)-14,15-epoxygeranylgeraniol NSC112154

Inchi
InChI=1S/C11H13NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)
InChkey
IOFLKIRLUFZCHR-UHFFFAOYSA-N
Canonical Smiles
C1CN(CC1C(=O)O)C2=CC=CC=C2
Properties
Density
1.412
Flash Point
412.9°C
Computational chemical data
  • Molecular Weight:191.23g/mol
  • Molecular Formula:C29H20CLN7O11S3
  • Compound Is Canonicalized:True
  • Exact Mass:191.095
  • Monoisotopic Mass:191.095
  • Complexity:211
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAACAAADQjBkAQwyIMAAgCI ACTSSACCAAAhAgAIiAEIZIgIIDrAkZGEYAhmgADIyAc0AAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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