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(1S,3R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-7-oxabicyclo[2.2.1]heptan-3-ol

Compound with spectra: 1 MS (GC)

(1S,3R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-7-oxabicyclo[2.2.1]heptan-3-ol
SpectraBase Compound ID 7t79pwrZB5F
InChI InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1
InChIKey QOCBLJWPUILPNE-DGDOQUKGSA-N
Mol Weight 582.9 g/mol
Molecular Formula C40H54O3
Exact Mass 582.407296 g/mol
Enantiomer InChIKey QOCBLJWPUILPNE-ZRKVVWGCSA-N

View Spectrum of (1S,3R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-7-oxabicyclo[2.2.1]heptan-3-ol

MS (GC) Spectrum
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Source of Spectrum G4-64-581-3
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-19-[(1S,3R,4R)-3-hydroxy-3,5,5-trimethyl-7-oxabicyclo[2.2.1]heptan-4-yl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
FOLIASALACIOSIDE-L;(3R,5S,6S,7E,9R)-5,6-DIHYDRO-5-HYDROXY-3,6-EPOXY-BETA-IONOL-9-O-BETA-D-GLUCOPYRANOSIDE
CROTALIONOSIDE-C;MEGASTAGMAN-7-EN-3,6-EPOXY-5,9-DIOL-9-O-BETA-D-GLUCOPYRANOSIDE
(3S,5R,6S,3'S,5'R,6'R)-6,7-didehydro-5,6,5',6'-tetrahydro-.beta.,.beta.-carotene-3,5,6,3',5'-pentol,3,3'-diacetate
(3S,5R,6R,7E,9S)-MEGASTIGMAN-7-ENE-3,5,6,9-TETROL-3-O-BETA-D-GLUCOPYRANOSIDE
FOLIASALACIOSIDE-K;(3R,5S,6S,7E,9R)-MEGASTIGMAN-7-ENE-3,5,6,9-TETRAOL-3-O-BETA-D-GLUCOPYRANOSIDE
.beta.,.kappa.-Caroten-6'-one, 3,3'-bis(acetyloxy)-7,8-didehydro-8'-hydroxy-, (3R,3'S,5'R)-
3-HYDROXY-5,6-EPOXY-BETA-IONOL-3-O-BETA-D-GLUCOPYRANOSIDE
SAMMANGAOSIDE-A;(3S,5R,6S,7E,9S)-3-HYDROXY-5,6-EPOXY-BETA-IONYL-9-O-BETA-GLUCOPYRANOSIDE
EUODIONOSIDE-C;(3-R,5-R,6-S,7-E,9-S)-MEGASTIGMAN-7-EN-5,6-EPOXY-3,9-DIOL-9-O-BETA-D-GLUCOPYRANOSIDE
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