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Spiro[5H-cyclopropa[3,4]cyclohepta[1,2-c]pyran-5,2'-oxirane]-1,8-dimethanol, 4-(acetyloxy)-4,4a,6,7,7a,8,8a,8b-octahydro-8-methyl-, diacetate, [4R-(4.alpha.,4a.alpha.,5.beta.,7a.beta.,8.alpha.,8a.beta.,8b.alpha.)]-
SpectraBase Compound ID BcXVEdcEccf
InChI InChI=1S/C21H28O8/c1-11(22)25-7-14-8-26-19(29-13(3)24)18-16(14)17-15(5-6-21(18)10-28-21)20(17,4)9-27-12(2)23/h8,15-19H,5-7,9-10H2,1-4H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
InChIKey JHVOFEZRFCOCHL-ATWVFEABSA-N
Mol Weight 408.45 g/mol
Molecular Formula C21H28O8
Exact Mass 408.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXXcutgy8DZ
Name Spiro[5H-cyclopropa[3,4]cyclohepta[1,2-c]pyran-5,2'-oxirane]-1,8-dimethanol, 4-(acetyloxy)-4,4a,6,7,7a,8,8a,8b-octahydro-8-methyl-, diacetate, [4R-(4.alpha.,4a.alpha.,5.beta.,7a.beta.,8.alpha.,8a.beta.,8b.alpha.)]-
Alternate Name(s) (+)-Plagiochiline B Plagiochilin B
CAS Registry Number 70447-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O8
InChI InChI=1S/C21H28O8/c1-11(22)25-7-14-8-26-19(29-13(3)24)18-16(14)17-15(5-6-21(18)10-28-21)20(17,4)9-27-12(2)23/h8,15-19H,5-7,9-10H2,1-4H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
InChIKey JHVOFEZRFCOCHL-ATWVFEABSA-N
Molecular Weight 408.447 g/mol
SMILES [C@@]1([C@@]2([C@@]3([C@]([C@@]4(OC4)CC[C@]12[H])([C@](OC=C3COC(=O)C)(OC(=O)C)[H])[H])[H])[H])(COC(=O)C)C
SPLASH splash10-0006-9240000000-3adc8036e596a7771a26
Source of Spectrum KC-1981-2821-0
Wiley ID 1372873