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(-)-4,5,6-Tri-O-allyl-1-O-(p-methoxybenzyl)-2,3-cyclohexylidene-myo-inositol
SpectraBase Compound ID 4eRZoyOK5FQ
InChI InChI=1S/C29H40O7/c1-5-17-31-23-24(32-18-6-2)26(34-20-21-11-13-22(30-4)14-12-21)28-27(25(23)33-19-7-3)35-29(36-28)15-9-8-10-16-29/h5-7,11-14,23-28H,1-3,8-10,15-20H2,4H3/t23-,24-,25+,26+,27-,28+/m1/s1
InChIKey IMTAAJHOPCOLCA-NUFRCSJQSA-N
Mol Weight 500.6 g/mol
Molecular Formula C29H40O7
Exact Mass 500.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHj6tU4WrQm
Name (-)-4,5,6-Tri-O-allyl-1-O-(p-methoxybenzyl)-2,3-cyclohexylidene-myo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40O7
InChI InChI=1S/C29H40O7/c1-5-17-31-23-24(32-18-6-2)26(34-20-21-11-13-22(30-4)14-12-21)28-27(25(23)33-19-7-3)35-29(36-28)15-9-8-10-16-29/h5-7,11-14,23-28H,1-3,8-10,15-20H2,4H3/t23-,24-,25+,26+,27-,28+/m1/s1
InChIKey IMTAAJHOPCOLCA-NUFRCSJQSA-N
Molecular Weight 500.632 g/mol
SMILES [C@@]12([C@@]([C@@](OCC=C)([C@@]([C@]([C@@]2(OCc2ccc(cc2)OC)[H])(OCC=C)[H])(OCC=C)[H])[H])(OC2(O1)CCCCC2)[H])[H]
SPLASH splash10-00di-0900000000-40f06139fea556dcb1e6
Source of Spectrum J-63-5436-27
Synonyms (1R,2R,3S,4S,5R,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5-tris(prop-2-en-1-yloxy)spiro[bicyclo[4.1.0]heptane-7,1'-cyclohexane]-1,6-diol (3aR,4S,5R,6R,7S,7aS)-4,5,6-triallyloxy-7-[(4-methoxyphenyl)methoxy]spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane] (3aS,4S,5R,6R,7S,7aR)-4-[(4-methoxyphenyl)methoxy]-5,6,7-tris(prop-2-enoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]
Wiley ID 1398904