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(1S,5S,6E,8S,12R)-8,12-dimethyl-2-methylidene-8-oxidanyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-6-en-10-one
SpectraBase Compound ID 31C1vg4dVQn
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/h8,10,14,16,18,22H,3,6-7,9,11-13H2,1-2,4-5H3/b10-8+/t16-,18+,19-,20-/m1/s1
InChIKey AWEQBHZSWLHAGK-LWMNRSPGSA-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 Cr83LGQjANH
Name (1S,5S,6E,8S,12R)-8,12-dimethyl-2-methylidene-8-oxidanyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-6-en-10-one
CAS Registry Number 98064-76-7
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/h8,10,14,16,18,22H,3,6-7,9,11-13H2,1-2,4-5H3/b10-8+/t16-,18+,19-,20-/m1/s1
InChIKey AWEQBHZSWLHAGK-LWMNRSPGSA-N
Molecular Weight 320.473 g/mol
SMILES O[C@@]1(\C=C\[C@@](CCC([C@]2(O[C@@](CC(C1)=O)(CC2)C)[H])=C)(C(C)C)[H])C
SPLASH splash10-0006-9410000000-3c6cb87ac1b4b81eca32
Source of Spectrum J-50-4536-4
Synonyms (1S,5S,6E,8S,12R)-8-hydroxy-5-isopropyl-8,12-dimethyl-2-methylene-15-oxabicyclo[10.2.1]pentadec-6-en-10-one (1S,5S,6E,8S,12R)-8-hydroxy-8,12-dimethyl-2-methylene-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-6-en-10-one (1S,5S,6E,8S,12R)-8-hydroxy-8,12-dimethyl-2-methylidene-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-6-en-10-one
Wiley ID 1320434