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2-[(1S,2RS,all-E)-4,8,12-trimethyl-2-(phenylthio)-cyclotetradeca-3,7,11-trienyl]propan-2-ol
SpectraBase Compound ID 89unktZCPyL
InChI InChI=1S/C26H38OS/c1-20-11-9-13-21(2)17-18-24(26(4,5)27)25(19-22(3)14-10-12-20)28-23-15-7-6-8-16-23/h6-8,12-13,15-16,19,24-25,27H,9-11,14,17-18H2,1-5H3/b20-12-,21-13-,22-19-/t24-,25+/m1/s1
InChIKey MUFKFZLXPIKWKV-VDYYMXGTSA-N
Mol Weight 398.6 g/mol
Molecular Formula C26H38OS
Exact Mass 398.264337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8N5qbtPDKpT
Name 2-[(1S,2RS,all-E)-4,8,12-trimethyl-2-(phenylthio)-cyclotetradeca-3,7,11-trienyl]propan-2-ol
Alternate Name(s) 2-[(1S,2S)-4,8,12-trimethyl-2-(phenylsulfanyl)-3,7,11-cyclotetradecatrien-1-yl]-2-propanol
CAS Registry Number 117065-20-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38OS
InChI InChI=1S/C26H38OS/c1-20-11-9-13-21(2)17-18-24(26(4,5)27)25(19-22(3)14-10-12-20)28-23-15-7-6-8-16-23/h6-8,12-13,15-16,19,24-25,27H,9-11,14,17-18H2,1-5H3/b20-12-,21-13-,22-19-/t24-,25+/m1/s1
InChIKey MUFKFZLXPIKWKV-VDYYMXGTSA-N
Molecular Weight 398.649 g/mol
SMILES OC([C@]1([C@](\C=C/(CC\C=C/(CC\C=C/(CC1)C)C)C)(Sc1ccccc1)[H])[H])(C)C
SPLASH splash10-008c-9610000000-a6d15b8ff263b80db269
Source of Spectrum H-71-296-15
Wiley ID 1368652