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(4-E,8-R,11-S)-CARYOPHYLL-4-(5)-ENE-8,12,14-TRIOL

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(4-E,8-R,11-S)-CARYOPHYLL-4-(5)-ENE-8,12,14-TRIOL
SpectraBase Compound ID 7jhiVeKzro7
InChI InChI=1S/C15H26O3/c1-14(10-17)8-13-12(14)6-5-11(9-16)4-3-7-15(13,2)18/h4,12-13,16-18H,3,5-10H2,1-2H3/b11-4-/t12-,13+,14-,15-/m1/s1
InChIKey ZXXPPFVLMJDNBO-MNVIUANYSA-N
Mol Weight 254.37 g/mol
Molecular Formula C15H26O3
Exact Mass 254.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gisIauVwyP
Name (1R,4Z,8R,9S,11S)-4,11-bis(hydroxymethyl)-8,11-dimethyl-8-bicyclo[7.2.0]undec-4-enol
Alternate Name(s) (1R,4Z,8R,9S,11S)-4,11-bis(hydroxymethyl)-8,11-dimethyl-bicyclo[7.2.0]undec-4-en-8-ol (1R,4Z,8R,9S,11S)-8,11-dimethyl-4,11-dimethylol-bicyclo[7.2.0]undec-4-en-8-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-14(10-17)8-13-12(14)6-5-11(9-16)4-3-7-15(13,2)18/h4,12-13,16-18H,3,5-10H2,1-2H3/b11-4-/t12-,13+,14-,15-/m1/s1
InChIKey ZXXPPFVLMJDNBO-MNVIUANYSA-N
Molecular Weight 254.370 g/mol
SMILES OC\C=1CC[C@@]2([C@@]([C@](O)(CCC\1)C)(C[C@@]2(CO)C)[H])[H]
SPLASH splash10-0a5c-9500000000-abae522992e6ed302182
Source of Spectrum G4-63-47-10
Wiley ID 1608187