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PENTANDRALACTONE;2-FORMYL-12-S-HYDROXY-A-NORCLERODA-2,13(14)-DIEN-15,16-OLIDE

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PENTANDRALACTONE;2-FORMYL-12-S-HYDROXY-A-NORCLERODA-2,13(14)-DIEN-15,16-OLIDE
SpectraBase Compound ID ANJ6Sj4klDO
InChI InChI=1S/C20H28O4/c1-12-5-6-19(3)13(2)14(10-21)7-17(19)20(12,4)9-16(22)15-8-18(23)24-11-15/h8,10,12,16-17,22H,5-7,9,11H2,1-4H3/t12-,16+,17+,19+,20+/m1/s1
InChIKey INKHECVKBKBYSE-PLXGSGTKSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Th9HsJZjc
Name (3aR,6R,7S,7aR)-3,3a,6,7-tetramethyl-7-[(2S)-2-oxidanyl-2-(5-oxidanylidene-2H-furan-3-yl)ethyl]-4,5,6,7a-tetrahydro-1H-indene-2-carbaldehyde
Alternate Name(s) (3aR,6R,7S,7aR)-7-[(2S)-2-hydroxy-2-(5-keto-2H-furan-3-yl)ethyl]-3,3a,6,7-tetramethyl-4,5,6,7a-tetrahydro-1H-indene-2-carbaldehyde (3aR,6R,7S,7aR)-7-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3,3a,6,7-tetramethyl-4,5,6,7a-tetrahydro-1H-indene-2-carbaldehyde (3aR,6R,7S,7aR)-7-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3,3a,6,7-tetramethyl-4,5,6,7a-tetrahydro-1H-indene-2-carboxaldehyde
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Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-12-5-6-19(3)13(2)14(10-21)7-17(19)20(12,4)9-16(22)15-8-18(23)24-11-15/h8,10,12,16-17,22H,5-7,9,11H2,1-4H3/t12-,16+,17+,19+,20+/m1/s1
InChIKey INKHECVKBKBYSE-PLXGSGTKSA-N
Molecular Weight 332.440 g/mol
SMILES O[C@](C1=CC(=O)OC1)(C[C@@]1([C@@]2([C@](C(=C(C=O)C2)C)(CC[C@]1(C)[H])C)[H])C)[H]
SPLASH splash10-0a4i-5923000000-218c5b4b876ac47378f1
Source of Spectrum G4-63-1064-4
Wiley ID 1608548