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5,8-Epoxycaryophyllane-4,14-diol
SpectraBase Compound ID KOwtCQEatbw
InChI InChI=1S/C15H26O3/c1-13(9-16)8-11-10(13)4-6-14(2,17)12-5-7-15(11,3)18-12/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12+,13-,14-,15+/m1/s1
InChIKey KZECFWSPXFFTBL-FSKVPOERSA-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 Lhiy1TxygAz
Name 5,8-Epoxycaryophyllane-4,14-diol
Alternate Name(s) (1S,2S,4S,5R,8R,9S)-4-(hydroxymethyl)-1,4,8-trimethyl-12-oxatricyclo[7.2.1.0(2,5)]dodecan-8-ol
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Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-13(9-16)8-11-10(13)4-6-14(2,17)12-5-7-15(11,3)18-12/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12+,13-,14-,15+/m1/s1
InChIKey KZECFWSPXFFTBL-FSKVPOERSA-N
Molecular Weight 254.370 g/mol
SMILES O[C@]1([C@]2(O[C@]([C@]3(C[C@](CO)([C@@]3(CC1)[H])C)[H])(CC2)C)[H])C
SPLASH splash10-0a5a-9400000000-aaf545ab59c78858671c
Source of Spectrum G4-63-47-12
Wiley ID 1608185