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Benz[f]azulen-8(1H)-one, dodecahydro-5-hydroxy-3a,5,8a-trimethyl-1-(1-methylethenyl)-, (1.alpha.,3a.beta.,4a.beta.,5.beta.,8a.alpha.,10a.alpha.)-
SpectraBase Compound ID 8iBj4HyQgLF
InChI InChI=1S/C20H32O2/c1-13(2)14-6-9-18(3)12-16-19(4,10-7-15(14)18)17(21)8-11-20(16,5)22/h14-16,22H,1,6-12H2,2-5H3/t14-,15-,16-,18+,19-,20+/m0/s1
InChIKey STIWVBXFSWPXIF-BRMIGGSTSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OKyLHK12F5
Name Benz[f]azulen-8(1H)-one, dodecahydro-5-hydroxy-3a,5,8a-trimethyl-1-(1-methylethenyl)-, (1.alpha.,3a.beta.,4a.beta.,5.beta.,8a.alpha.,10a.alpha.)-
Alternate Name(s) (1R,3aR,4aS,5R,8aS,10aS)-5-hydroxy-1-isopropenyl-3a,5,8a-trimethyldodecahydrobenzo[f]azulen-8(1H)-one 1.alpha.-hydroxy-4-oxoclavular-17-ene
CAS Registry Number 69301-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-13(2)14-6-9-18(3)12-16-19(4,10-7-15(14)18)17(21)8-11-20(16,5)22/h14-16,22H,1,6-12H2,2-5H3/t14-,15-,16-,18+,19-,20+/m0/s1
InChIKey STIWVBXFSWPXIF-BRMIGGSTSA-N
Molecular Weight 304.474 g/mol
SMILES O[C@]1([C@@]2([C@@](C(CC1)=O)(CC[C@]1([C@](C(=C)C)(CC[C@@]1(C2)C)[H])[H])C)[H])C
SPLASH splash10-0f6t-6093000000-db333735dcb5aca3cc9c
Source of Spectrum F-34-1555-0
Wiley ID 1306846