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(3S,5R,6S)-5,14-DIHYDROXY-6-METHYL-3-[3-(PYRIDIN-2-YL)-PROP-2-YNYL]-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE

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

(3S,5R,6S)-5,14-DIHYDROXY-6-METHYL-3-[3-(PYRIDIN-2-YL)-PROP-2-YNYL]-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE
SpectraBase Compound ID DSYo8Fe8kar
InChI InChI=1S/C24H25NO4/c1-17-8-2-3-9-18-10-6-14-21(26)23(18)24(28)29-20(16-22(17)27)13-7-12-19-11-4-5-15-25-19/h2-6,10-11,14-15,17,20,22,26-27H,8-9,13,16H2,1H3/b3-2+/t17-,20-,22+/m0/s1
InChIKey OXLZALIEIISCSG-LEKKPTTGSA-N
Mol Weight 391.47 g/mol
Molecular Formula C24H25NO4
Exact Mass 391.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID txmuvQsSkF
Name (3E,6S,7R,9S)-6-methyl-7,13-bis(oxidanyl)-9-(3-pyridin-2-ylprop-2-ynyl)-10-oxabicyclo[10.4.0]hexadeca-1(12),3,13,15-tetraen-11-one
Alternate Name(s) (3E,6S,7R,9S)-7,13-dihydroxy-6-methyl-9-(3-pyridin-2-ylprop-2-ynyl)-10-oxabicyclo[10.4.0]hexadeca-1(12),3,13,15-tetraen-11-one (3E,6S,7R,9S)-7,13-dihydroxy-6-methyl-9-[3-(2-pyridinyl)prop-2-ynyl]-10-oxabicyclo[10.4.0]hexadeca-1(12),3,13,15-tetraen-11-one (3E,6S,7R,9S)-7,13-dihydroxy-6-methyl-9-[3-(2-pyridyl)prop-2-ynyl]-10-oxabicyclo[10.4.0]hexadeca-1(12),3,13,15-tetraen-11-one
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Formula C24H25NO4
InChI InChI=1S/C24H25NO4/c1-17-8-2-3-9-18-10-6-14-21(26)23(18)24(28)29-20(16-22(17)27)13-7-12-19-11-4-5-15-25-19/h2-6,10-11,14-15,17,20,22,26-27H,8-9,13,16H2,1H3/b3-2+/t17-,20-,22+/m0/s1
InChIKey OXLZALIEIISCSG-LEKKPTTGSA-N
Molecular Weight 391.467 g/mol
SMILES Oc1c2C(O[C@](C[C@]([C@](C\C=C\Cc2ccc1)(C)[H])(O)[H])(CC#Cc1ncccc1)[H])=O
SPLASH splash10-00kf-0903000000-58d150e47575ef66e9d9
Source of Spectrum H-2005-738-36
Wiley ID 1562371