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Caseamembrin H

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Caseamembrin H
SpectraBase Compound ID GLUJfQWT1ql
InChI InChI=1S/C30H44O8/c1-8-11-25(33)36-24-15-19(5)29(7,14-13-18(4)10-3)23-17-21(32)16-22-27(37-26(34)12-9-2)38-28(30(22,23)24)35-20(6)31/h10,16,19,21,23-24,27-28,32H,3-4,8-9,11-15,17H2,1-2,5-7H3/t19-,21+,23+,24+,27+,28-,29-,30-/m0/s1
InChIKey DDZAGRCYOAFKSY-CWRUIIGNSA-N
Mol Weight 532.7 g/mol
Molecular Formula C30H44O8
Exact Mass 532.303618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Do0NUQC8yP
Name Caseamembrin H
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H44O8
InChI InChI=1S/C30H44O8/c1-8-11-25(33)36-24-15-19(5)29(7,14-13-18(4)10-3)23-17-21(32)16-22-27(37-26(34)12-9-2)38-28(30(22,23)24)35-20(6)31/h10,16,19,21,23-24,27-28,32H,3-4,8-9,11-15,17H2,1-2,5-7H3/t19-,21+,23+,24+,27+,28-,29-,30-/m0/s1
InChIKey DDZAGRCYOAFKSY-CWRUIIGNSA-N
Molecular Weight 532.674 g/mol
SMILES O[C@]1(C[C@]2([C@@]3(C([C@](OC(=O)CCC)(O[C@@]3(OC(=O)C)[H])[H])=C1)[C@@](C[C@](C)([C@@]2(CCC(C=C)=C)C)[H])(OC(=O)CCC)[H])[H])[H]
SPLASH splash10-0089-9000000000-51131ddf468bf2e907d7
Source of Spectrum C-88-75-2
Synonyms 1-(Acetyloxy)-octahydro-5-hydroxy-7,8-dimethyl-7-(3'-methylenepent-4'-enyl)-1H-naphtho-[1,8a-c]furan-3,10-diyl-bis(Butanoate) Butanoic acid [(1R,3S,5S,6aR,7S,8S,10R,10aR)-1-acetyloxy-5-hydroxy-7,8-dimethyl-7-(3-methylenepent-4-enyl)-3-(1-oxobutoxy)-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-10-yl] ester [(1R,3S,5S,6aR,7S,8S,10R,10aR)-1-acetyloxy-3-butanoyloxy-5-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] butanoate [(1R,3S,5S,6aR,7S,8S,10R,10aR)-1-acetoxy-3-butanoyloxy-5-hydroxy-7,8-dimethyl-7-(3-methylenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-10-yl] butanoate [(1R,3S,5S,6aR,7S,8S,10R,10aR)-1-acetyloxy-3-butanoyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-5-oxidanyl-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] butanoate
Wiley ID 1590113