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(3R,4R,5R)-3,5-Dihydroxy-4-methoxycaryophyll-8(13)-ene

View entire compound with spectra: 1 MS (GC)

(3R,4R,5R)-3,5-Dihydroxy-4-methoxycaryophyll-8(13)-ene
SpectraBase Compound ID NMYwZNmU3d
InChI InChI=1S/C16H28O3/c1-10-6-7-13(17)16(4,19-5)14(18)8-12-11(10)9-15(12,2)3/h11-14,17-18H,1,6-9H2,2-5H3/t11-,12-,13-,14-,16-/m1/s1
InChIKey YCTPCIGKXIXKCT-UTGUJQJDSA-N
Mol Weight 268.4 g/mol
Molecular Formula C16H28O3
Exact Mass 268.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABoYHmLdK4z
Name (3R,4R,5R)-3,5-Dihydroxy-4-methoxycaryophyll-8(13)-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O3
InChI InChI=1S/C16H28O3/c1-10-6-7-13(17)16(4,19-5)14(18)8-12-11(10)9-15(12,2)3/h11-14,17-18H,1,6-9H2,2-5H3/t11-,12-,13-,14-,16-/m1/s1
InChIKey YCTPCIGKXIXKCT-UTGUJQJDSA-N
Molecular Weight 268.397 g/mol
SMILES O[C@]1([C@@]([C@@](CCC([C@@]2([C@@](C1)(C(C2)(C)C)[H])[H])=C)(O)[H])(OC)C)[H]
SPLASH splash10-05n0-9200000000-60ce169753c66d0caf63
Source of Spectrum J-62-1968-10
Synonyms (1R,3R,4R,5R,9S)-4-methoxy-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undecane-3,5-diol (1R,3R,4R,5R,9S)-4-methoxy-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-3,5-diol (1R,3R,4R,5R,9S)-4-methoxy-4,11,11-trimethyl-8-methylidene-bicyclo[7.2.0]undecane-3,5-diol
Wiley ID 1272425