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A-SANTONIN,DIHYDRO
SpectraBase Compound ID 8Ix5NECXdgK
InChI InChI=1S/C15H20O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h8,10,13H,4-7H2,1-3H3/t8-,10-,13-,15-/m0/s1
InChIKey TYHGCPJCCQBRMP-BOCCBSBMSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhFjvoXxBHr
Name Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,6,7,9b-hexahydro-3,5
CAS Registry Number 18409-93-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h8,10,13H,4-7H2,1-3H3/t8-,10-,13-,15-/m0/s1
InChIKey TYHGCPJCCQBRMP-BOCCBSBMSA-N
Molecular Weight 248.322 g/mol
SMILES C1=2[C@]3(OC(=O)[C@]([C@@]3(CC[C@]1(CCC(C2C)=O)C)[H])(C)[H])[H]
SPLASH splash10-0007-0690000000-baa16edf40e9742dcd6c
Source of Spectrum F-50-5444-4
Synonyms 3,5a,9-Trimethyl-3a,5,5a,6,7,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione 1,2-Dihydro-.alpha.-santonin 3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g]benzofuran-2,8-dione 1,2-Dihydro-alpha-santonin 3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g]benzofuran-2,8-quinone 3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g][1]benzofuran-2,8-dione a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)]- Dihydro-.alpha.-santonin Eudesm-4-en-12-oic acid, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11S)- Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,6,7,9b-hexahydro-3,5a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)]- (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g]benzofuran-2,8-dione (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g][1]benzofuran-2,8-dione (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,5a,6,7-hexahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione
Wiley ID 1251295