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Benz[f]azulene-7,8-diol, tetradecahydro-3a,8a-dimethyl-5-methylene-1-(1-methylethenyl)-, diacetate, (1.alpha.,3a.beta.,4a.beta.,7.beta.,8.alpha.,8a.alpha.,10a.alpha.)-
SpectraBase Compound ID USCgNdSVEd
InChI InChI=1S/C24H36O4/c1-14(2)18-8-10-23(6)13-20-15(3)12-21(27-16(4)25)22(28-17(5)26)24(20,7)11-9-19(18)23/h18-22H,1,3,8-13H2,2,4-7H3/t18-,19-,20+,21+,22-,23+,24-/m0/s1
InChIKey NPRHAVKOPQUJJE-JHHQKPEOSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NHp3xZ8kwQ
Name Benz[f]azulene-7,8-diol, tetradecahydro-3a,8a-dimethyl-5-methylene-1-(1-methylethenyl)-, diacetate, (1.alpha.,3a.beta.,4a.beta.,7.beta.,8.alpha.,8a.alpha.,10a.alpha.)-
Alternate Name(s) (1R,3aR,4aR,7R,8R,8aS,10aS)-7-(acetyloxy)-1-isopropenyl-3a,8a-dimethyl-5-methylenetetradecahydrobenzo[f]azulen-8-yl acetate 3.alpha.,4.beta.-diacetoxyclavulara-1(15),17-diene
CAS Registry Number 69301-43-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-14(2)18-8-10-23(6)13-20-15(3)12-21(27-16(4)25)22(28-17(5)26)24(20,7)11-9-19(18)23/h18-22H,1,3,8-13H2,2,4-7H3/t18-,19-,20+,21+,22-,23+,24-/m0/s1
InChIKey NPRHAVKOPQUJJE-JHHQKPEOSA-N
Molecular Weight 388.548 g/mol
SMILES [C@]12([C@@](C(=C)C[C@]([C@@]2(OC(=O)C)[H])(OC(=O)C)[H])(C[C@]2(CC[C@]([C@@]2(CC1)[H])(C(=C)C)[H])C)[H])C
SPLASH splash10-00o0-4092000000-7992358ecda21bc990e5
Source of Spectrum F-34-1556-0
Wiley ID 1364025