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Benz[f]azulene-5,8-diol, tetradecahydro-3a,5,8a-trimethyl-1-(1-methylethenyl)-, [1S-(1.alpha.,3a.beta.,4a.beta.,5.beta.,8.alpha.,8a.alpha.,10a.alpha.)]-
SpectraBase Compound ID A34rzlDcbMR
InChI InChI=1S/C20H34O2/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/h14-17,21-22H,1,6-12H2,2-5H3/t14-,15-,16-,17-,18+,19-,20-/m1/s1
InChIKey QLUDHIWOXIXFCY-BYXVQRNISA-N
Mol Weight 306.5 g/mol
Molecular Formula C20H34O2
Exact Mass 306.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KARTzwcIYvs
Name Benz[f]azulene-5,8-diol, tetradecahydro-3a,5,8a-trimethyl-1-(1-methylethenyl)-, [1S-(1.alpha.,3a.beta.,4a.beta.,5.beta.,8.alpha.,8a.alpha.,10a.alpha.)]-
Alternate Name(s) (1S,3aS,4aR,5R,8R,8aR,10aR)-1-isopropenyl-3a,5,8a-trimethyltetradecahydrobenzo[f]azulene-5,8-diol 1.alpha.,4.beta.-dihydroxyclavular-17-ene
CAS Registry Number 69301-36-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O2
InChI InChI=1S/C20H34O2/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/h14-17,21-22H,1,6-12H2,2-5H3/t14-,15-,16-,17-,18+,19-,20-/m1/s1
InChIKey QLUDHIWOXIXFCY-BYXVQRNISA-N
Molecular Weight 306.490 g/mol
SMILES O[C@]1([C@]2([C@]([C@@](CC1)(O)[H])(CC[C@@]1([C@](CC[C@]1(C2)C)(C(=C)C)[H])[H])C)[H])C
SPLASH splash10-0006-9072000000-add2c459f96c4d9da6a4
Source of Spectrum F-34-1555-0
Wiley ID 1308528