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(1S,2E,4S,8R,11S,12E)-8,11-Epoxy-4-hydroxy-2,12-cembradien-6-one
SpectraBase Compound ID GewuHbej7Lp
InChI InChI=1S/C20H32O3/c1-14(2)16-7-6-15(3)18-9-11-20(5,23-18)13-17(21)12-19(4,22)10-8-16/h6,8,10,14,16,18,22H,7,9,11-13H2,1-5H3/b10-8+,15-6+/t16-,18?,19-,20-/m1/s1
InChIKey LKOKCLMYMYOOIB-FPGIIUTMSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVWKuQkXf0u
Name (1S,2E,4S,8R,11S,12E)-8,11-Epoxy-4-hydroxy-2,12-cembradien-6-one
Alternate Name(s) (1R,5S,8S)-5-hydroxy-8-isopropyl-1,5,11-trimethyl-15-oxabicyclo[10.2.1]pentadeca-6,10-dien-3-one
CAS Registry Number 98064-75-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-14(2)16-7-6-15(3)18-9-11-20(5,23-18)13-17(21)12-19(4,22)10-8-16/h6,8,10,14,16,18,22H,7,9,11-13H2,1-5H3/b10-8+,15-6+/t16-,18?,19-,20-/m1/s1
InChIKey LKOKCLMYMYOOIB-FPGIIUTMSA-N
Molecular Weight 320.473 g/mol
SMILES O[C@@]1(\C=C\[C@@](C\C=C\(C2O[C@@](CC(C1)=O)(CC2)C)C)(C(C)C)[H])C
SPLASH splash10-0006-9500000000-968ee65c74012fbf36f0
Source of Spectrum J-50-4536-3
Wiley ID 1320433