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COLUMBIN
SpectraBase Compound ID HgX4R3SvPWR
InChI InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13+,14-,15-,18+,19+,20-/m0/s1
InChIKey AALLCALQGXXWNA-QJNFORGASA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYdasi957zw
Name 1,4-Etheno-3H,7H-benzo[1,2-c:3,4-c']dipyran-3,7-dione, 9-(3-furanyl)decahydro-4-hydroxy-4a,10a-dimethyl-, [1R-(1.alpha.,4.beta.,4a.alpha.,6a.beta.,9.beta.,10a.beta.,10b.alpha.)]-
CAS Registry Number 546-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13+,14-,15-,18+,19+,20-/m0/s1
InChIKey AALLCALQGXXWNA-QJNFORGASA-N
Molecular Weight 358.390 g/mol
SMILES O[C@]12[C@]3([C@]([C@@]4(C[C@](c5cocc5)([H])OC([C@@]4(CC3)[H])=O)C)([C@](OC1=O)(C=C2)[H])[H])C
SPLASH splash10-0006-9510000000-9077afcc5b35ffe5e234
Source of Spectrum AA-0-2030-1
Synonyms 1,4-Etheno-3H,7H-benzo[1,2-c:3,4-c']dipyran-3,7-dione, 9-(3-furanyl)decahydro-4-hydroxy-4a,10a-dimethyl- Columbin Isocolumbin Isocolumbin* 4-HYDROXY-15,16-EPOXYCLERODA-2,13(16),14-TRIENO-17,12-18,1-BISCARBOLACTONE
Wiley ID 52939