| SpectraBase Spectrum ID |
7bbqKmz3rHA |
| Name |
(M,P)-2-[(1S,2S,3R,6R)-3-Isopropyl-6-methyl-7-oxabicyclo- [4.1.0]heptan-2-yl]-3,5-dimethylphenyl 3,5-Dimethoxybenzoate |
| Appearance |
Colourless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H34O5 |
| InChI |
InChI=1S/C27H34O5/c1-15(2)21-8-9-27(5)25(32-27)24(21)23-17(4)10-16(3)11-22(23)31-26(28)18-12-19(29-6)14-20(13-18)30-7/h10-15,21,24-25H,8-9H2,1-7H3/t21-,24+,25+,27-/m1/s1 |
| InChIKey |
TWBWUMLGZDOXLA-MLQASWRXSA-N |
| Instrument Name |
EI-TOF Waters |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800340 |
| Molecular Weight |
438.564 g/mol |
| Reported Formula |
C27H34O5 |
| SMILES |
C1[C@](C(C)C)([C@@](c2c(OC(=O)c3cc(cc(c3)OC)OC)cc(C)cc2C)([C@]2([H])O[C@]2(C)C1)[H])[H] |
| SPLASH |
splash10-02t9-0950000000-99d5767a5b1c82dd13fe |
| Sample Comments |
dr = 70:30 |
| Source of Spectrum |
U1-2019-367-2g |
| Thin-Layer Chromatography |
Rf = 0.31 and 0.28 (petroleum ether/ EtOAc, 9:1) |
| Wiley ID |
1843642 |
![(M,P)-2-[(1S,2S,3R,6R)-3-Isopropyl-6-methyl-7-oxabicyclo- [4.1.0]heptan-2-yl]-3,5-dimethylphenyl 3,5-Dimethoxybenzoate](/api/spectrum/7bbqKmz3rHA/structure.png?h=300&w=458 "(M,P)-2-[(1S,2S,3R,6R)-3-Isopropyl-6-methyl-7-oxabicyclo- [4.1.0]heptan-2-yl]-3,5-dimethylphenyl 3,5-Dimethoxybenzoate")
