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(+)-4,5,6-Tri-O-Benzyl-2,3-O-cyclohexylidene-1-O-(p-methoxybenzyl)-myo-inositol
SpectraBase Compound ID 29kTYP5Lejw
InChI InChI=1S/C41H46O7/c1-42-34-22-20-33(21-23-34)29-46-38-36(44-27-31-16-8-3-9-17-31)35(43-26-30-14-6-2-7-15-30)37(45-28-32-18-10-4-11-19-32)39-40(38)48-41(47-39)24-12-5-13-25-41/h2-4,6-11,14-23,35-40H,5,12-13,24-29H2,1H3/t35-,36-,37+,38+,39-,40+/m0/s1
InChIKey GETGJPXFRAJDFI-DGGGMLIJSA-N
Mol Weight 650.8 g/mol
Molecular Formula C41H46O7
Exact Mass 650.324354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VNLtunIHeS
Name (+)-4,5,6-Tri-O-Benzyl-2,3-O-cyclohexylidene-1-O-(p-methoxybenzyl)-myo-inositol
Alternate Name(s) (3aR,4R,5S,6S,7R,7aS)-5,6,7-tris(benzyloxy)-4-[(4-methoxyphenyl)methoxy]-hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H46O7
InChI InChI=1S/C41H46O7/c1-42-34-22-20-33(21-23-34)29-46-38-36(44-27-31-16-8-3-9-17-31)35(43-26-30-14-6-2-7-15-30)37(45-28-32-18-10-4-11-19-32)39-40(38)48-41(47-39)24-12-5-13-25-41/h2-4,6-11,14-23,35-40H,5,12-13,24-29H2,1H3/t35-,36-,37+,38+,39-,40+/m0/s1
InChIKey GETGJPXFRAJDFI-DGGGMLIJSA-N
Molecular Weight 650.812 g/mol
SMILES [C@@]12([C@]([C@](OCc3ccccc3)([C@]([C@@]([C@]1(OCc1ccc(cc1)OC)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H])(OC1(O2)CCCCC1)[H])[H]
SPLASH splash10-00di-0900011000-9a5660b016c7fd625560
Source of Spectrum J-61-5907-6
Wiley ID 1413141