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Benz[f]azulene-5,8-diol, tetradecahydro-3a,5,8a-trimethyl-1-(1-methylethenyl)-, 8-acetate, (1.alpha.,3a.beta.,4a.beta.,5.beta.,8.alpha.,8a.alpha.,10a.alpha.)-
SpectraBase Compound ID AyUeUT5Pvgg
InChI InChI=1S/C22H36O3/c1-14(2)16-7-10-20(4)13-18-21(5,11-8-17(16)20)19(25-15(3)23)9-12-22(18,6)24/h16-19,24H,1,7-13H2,2-6H3/t16-,17-,18-,19-,20+,21-,22-/m0/s1
InChIKey COYCLQQZHCCJKA-GDLCRWSOSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JA6ILMDV2DW
Name Benz[f]azulene-5,8-diol, tetradecahydro-3a,5,8a-trimethyl-1-(1-methylethenyl)-, 8-acetate, (1.alpha.,3a.beta.,4a.beta.,5.beta.,8.alpha.,8a.alpha.,10a.alpha.)-
CAS Registry Number 69301-39-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-14(2)16-7-10-20(4)13-18-21(5,11-8-17(16)20)19(25-15(3)23)9-12-22(18,6)24/h16-19,24H,1,7-13H2,2-6H3/t16-,17-,18-,19-,20+,21-,22-/m0/s1
InChIKey COYCLQQZHCCJKA-GDLCRWSOSA-N
Molecular Weight 348.527 g/mol
SMILES O[C@@]1([C@@]2([C@@]([C@@](OC(=O)C)(CC1)[H])(CC[C@]1([C@](C(=C)C)(CC[C@@]1(C2)C)[H])[H])C)[H])C
SPLASH splash10-0a4i-0952000000-d6a49d66e31212b911d9
Source of Spectrum F-34-1555-0
Synonyms (1R,3aR,4aS,5S,8S,8aS,10aS)-5-hydroxy-1-isopropenyl-3a,5,8a-trimethyltetradecahydrobenzo[f]azulen-8-yl acetate 1.alpha.-hydroxy-4.beta.-acetoxyclavular-17-ene
Wiley ID 1340987