| SpectraBase Spectrum ID |
9UVTXjgnHAd |
| Name |
1,3-Benzodioxole-5-acetic acid, .alpha.,6-dihydroxy-.alpha.-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1S-[1.alpha.(S*),2.beta.,5.alpha.]]- |
| CAS Registry Number |
100990-41-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O6 |
| InChI |
InChI=1S/C20H28O6/c1-11(2)13-6-5-12(3)7-16(13)26-19(22)20(4,23)14-8-17-18(9-15(14)21)25-10-24-17/h8-9,11-13,16,21,23H,5-7,10H2,1-4H3/t12-,13+,16-,20+/m0/s1 |
| InChIKey |
SKWOABORUWMFEJ-MAOAEMCLSA-N |
| Molecular Weight |
364.438 g/mol |
| SMILES |
O[C@](c1c(cc2c(c1)OCO2)O)(C(O[C@@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H])=O)C |
| SPLASH |
splash10-053u-0930000000-6eae3273e1d902a2e6e6 |
| Source of Spectrum |
J-53-1784-4 |
| Synonyms |
(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl (2R)-2-hydroxy-2-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate |
| Wiley ID |
1350793 |
![1,3-Benzodioxole-5-acetic acid, .alpha.,6-dihydroxy-.alpha.-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1S-[1.alpha.(S*),2.beta.,5.alpha.]]-](/api/spectrum/9UVTXjgnHAd/structure.png?h=300&w=458 "1,3-Benzodioxole-5-acetic acid, .alpha.,6-dihydroxy-.alpha.-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1S-[1.alpha.(S*),2.beta.,5.alpha.]]-")
