| 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)
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| SpectraBase Spectrum ID | FHj6tU4WrQm |
|---|---|
| Name | (-)-4,5,6-Tri-O-allyl-1-O-(p-methoxybenzyl)-2,3-cyclohexylidene-myo-inositol |
| Alternate Name(s) | (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] |
| 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 |
| Wiley ID | 1398904 |