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(1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15Z)-16-(hydroxymethyl)-18-[(1R,3S,6R)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12-trimethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol

Compound with spectra: 1 MS (GC)

(1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15Z)-16-(hydroxymethyl)-18-[(1R,3S,6R)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12-trimethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol
SpectraBase Compound ID Gmh704Pyom
InChI InChI=1S/C40H54O5/c1-29(16-12-17-31(3)20-21-35-36(4,5)24-33(42)26-38(35,8)44)14-10-11-15-30(2)18-13-19-32(28-41)22-23-40-37(6,7)25-34(43)27-39(40,9)45-40/h10-20,33-34,41-44H,24-28H2,1-9H3/b11-10+,16-12+,18-13+,29-14+,30-15+,31-17+,32-19-/t21?,33-,34-,38+,39+,40-/m0/s1
InChIKey PLPBVFIAZITKRV-DOSQSNLXSA-N
Mol Weight 614.9 g/mol
Molecular Formula C40H54O5
Exact Mass 614.397125 g/mol
Enantiomer InChIKey PLPBVFIAZITKRV-JAVSLEJASA-N

View Spectrum of (1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15Z)-16-(hydroxymethyl)-18-[(1R,3S,6R)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12-trimethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol

MS (GC) Spectrum
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Source of Spectrum F-56-9054-15
(3S,5R,6R,3'S,5'R,6'S)-3,6 : 5',6'-diepoxy-5,6,5',6'-tetrahydro-.beta.,.beta.-carotene-5,3'-diol
3,6 : 5',6'-Diepoxy-5,6,5',6'-tetrahydro-.beta.,.beta.-carotene-5,3'-diol
(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
(1R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-cyclohex-2-ene-1,4-diol
PHLOMUROSIDE;(3S,5S,6R,9R)-3-HYDROXY-5,6-EPOXY-BETA-IONOL-9-O-BETA-D-GLUCOPYRANOSIDE
STAPHYLIONOSIDE-H;(3S,5R,6R,9S,7E)-MEGASTIGMAN-5,6-EPOXY-7-ENE-3,9-DIOL-9-O-BETA-D-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
SAMMANGAOSIDE-A;(3S,5R,6S,7E,9S)-3-HYDROXY-5,6-EPOXY-BETA-IONYL-9-O-BETA-GLUCOPYRANOSIDE
PHLOMUROSIDE;(3S,5S,6R,9R)-3-HYDROXY-5,6-EPOXY-BETA-IONOL-9-O-BETA-GLUCOPYRANOSIDE
3-HYDROXY-5,6-EPOXY-BETA-IONOL-3-O-BETA-D-GLUCOPYRANOSIDE
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