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BETA-SANTONINE

View entire compound with spectra: 12 NMR, and 13 MS (GC)

BETA-SANTONINE
SpectraBase Compound ID rq9pihyqH7
InChI InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3
InChIKey XJHDMGJURBVLLE-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IopgPtBW9Q
Name Eudesma-1,4-dien-12-oic acid, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11S)-
CAS Registry Number 1618-78-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3
InChIKey XJHDMGJURBVLLE-UHFFFAOYSA-N
Molecular Weight 246.306 g/mol
SMILES C1=2C3OC(=O)C(C3CCC1(C=CC(C2C)=O)C)C
SPLASH splash10-000e-7930000000-9dca44fdbc5f320ccec3
Source of Spectrum AD-0-935-0
Synonyms Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)]- 3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione (-)-.alpha.-Santonin (-)-Santonin (-)-Santonine (3S,3aS,5aS,9bS)-2,3,3a,4,5,5a,8,9b-octahydro-3,5a,9-trimethylnaphtho(1,2-b)furan-2,8-dione .beta.-Santonin .beta.-Santonin-[3R-(3.alpha.,3a.beta.,5a.alpha.,9b.alpha.)]- 3a,5,5a,9b-tetrahydro- 3,5a,9-trimethylnaphthalene 11-Epiisoeusantona-1,4-dienic acid, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone 3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione 3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-quinone 3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione 3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione Eudesma-1,4-dien-12-oic acid, 6.beta.-hydroxy-3-oxo-, .gamma.-lactone, (11S)- 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-naphtho[1,2-b]puran-2,8(3H,4H)-dione 6,11-Alpha(H)-santonin Eudesma-1,4-dien-12-oic acid, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11R)- Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3.alpha.,3a.beta.,5a.alpha.,9b.alpha.)]- l-.alpha.-Santonin Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,9b.alpha.)]- Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)- Santoninic anhydride Santoninum Semenen [3S-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)dione AI3-19471 EINECS 207-560-7 NSC 41311 NSC 4900
Wiley ID 1249176