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CALANOLIDE-F

View entire compound with spectra: 1 NMR, and 2 MS (GC)

CALANOLIDE-F
SpectraBase Compound ID LEqwgqigV5q
InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12+,18+/m0/s1
InChIKey NIDRYBLTWYFCFV-VNBZBWLYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aq9179WhNz
Name (+-)12.alpha.-Hydroxy-6,6,10.beta.,11.beta.-tetramethyl-4-propyl-2H,6H,12H-10,11-dihydrobemzo[1,2-b:3,4-b':5,6-b"]tripyran-2-one
Alternate Name(s) (+-)-(10,11-cis-11,12-trans)-10,11-Dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-2H,6H,12H-benzo[1,2-b:3,4:b':5,6-b''']tripyran-2-one (+-)12.alpha.-Hydroxy-6,6,10.beta.,11.beta.-tetramethyl-4-propyl-2H,6H,12H-10,11-dihydrobemzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one
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Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12+,18+/m0/s1
InChIKey NIDRYBLTWYFCFV-VNBZBWLYSA-N
Molecular Weight 370.445 g/mol
SMILES O[C@]1(c2c(c3C=CC(Oc3c3c2OC(C=C3CCC)=O)(C)C)O[C@@]([C@@]1(C)[H])(C)[H])[H]
SPLASH splash10-0ab9-0019000000-5fada9dfd995b6767769
Source of Spectrum E1-40-1012-10
Wiley ID 1599212