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Benz[f]azulene-7,8-diol, tetradecahydro-3a,8a-dimethyl-5-methylene-1-(1-methylethenyl)-, 7-(4-methylbenzenesulfonate), (1.alpha.,3a.beta.,4a.beta.,7.beta.,8.alpha.,8a.alpha.,10a.alpha.)-
SpectraBase Compound ID D4nv7jcPFzq
InChI InChI=1S/C27H38O4S/c1-17(2)21-11-13-26(5)16-23-19(4)15-24(25(28)27(23,6)14-12-22(21)26)31-32(29,30)20-9-7-18(3)8-10-20/h7-10,21-25,28H,1,4,11-16H2,2-3,5-6H3/t21-,22-,23+,24+,25-,26+,27-/m0/s1
InChIKey BDDQLDPQXVHKSX-HAGPKJFTSA-N
Mol Weight 458.7 g/mol
Molecular Formula C27H38O4S
Exact Mass 458.249081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27hVt2QtKfu
Name Benz[f]azulene-7,8-diol, tetradecahydro-3a,8a-dimethyl-5-methylene-1-(1-methylethenyl)-, 7-(4-methylbenzenesulfonate), (1.alpha.,3a.beta.,4a.beta.,7.beta.,8.alpha.,8a.alpha.,10a.alpha.)-
CAS Registry Number 69301-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O4S
InChI InChI=1S/C27H38O4S/c1-17(2)21-11-13-26(5)16-23-19(4)15-24(25(28)27(23,6)14-12-22(21)26)31-32(29,30)20-9-7-18(3)8-10-20/h7-10,21-25,28H,1,4,11-16H2,2-3,5-6H3/t21-,22-,23+,24+,25-,26+,27-/m0/s1
InChIKey BDDQLDPQXVHKSX-HAGPKJFTSA-N
Molecular Weight 458.657 g/mol
SMILES O[C@@]1([C@]2(CC[C@]3([C@](C(=C)C)(CC[C@@]3(C[C@@]2(C(C[C@]1(OS(c1ccc(cc1)C)(=O)=O)[H])=C)[H])C)[H])[H])C)[H]
SPLASH splash10-001i-9000100000-9db98d3b9ca52d521893
Source of Spectrum F-34-1556-0
Synonyms (1R,3aR,4aR,7R,8R,8aS,10aS)-8-hydroxy-1-isopropenyl-3a,8a-dimethyl-5-methylenetetradecahydrobenzo[f]azulen-7-yl 4-methylbenzenesulfonate 4.beta.-hydroxy-3.alpha.-tosyloxyclavulara-1(15),17-diene
Wiley ID 1389923