| SpectraBase Spectrum ID |
IT0WajsRfhj |
| Name |
(1.alpha.,2.alpha.,3.beta.,6.alpha.)-7,7-dichloro-6-(2',3',4'-trimethoxyphenyl)bicyclo[4.1.0]heptane-2,3-diol |
| Alternate Name(s) |
(1R,2S,3S,6R)-7,7-dichloro-6-(2,3,4-trimethoxyphenyl)bicyclo[4.1.0]heptane-2,3-diol |
| CAS Registry Number |
116211-70-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20Cl2O5 |
| InChI |
InChI=1S/C16H20Cl2O5/c1-21-10-5-4-8(12(22-2)13(10)23-3)15-7-6-9(19)11(20)14(15)16(15,17)18/h4-5,9,11,14,19-20H,6-7H2,1-3H3/t9-,11+,14-,15-/m0/s1 |
| InChIKey |
HDJVATVTMNTQJX-OKFJQDPLSA-N |
| Molecular Weight |
363.237 g/mol |
| SMILES |
O[C@]1([C@@]2(C([C@@]2(CC[C@@]1(O)[H])c1c(c(OC)c(cc1)OC)OC)(Cl)Cl)[H])[H] |
| SPLASH |
splash10-004i-0009000000-443ef111f49cd403e2de |
| Source of Spectrum |
J-53-4950-15 |
| Wiley ID |
1349354 |
![(1.alpha.,2.alpha.,3.beta.,6.alpha.)-7,7-dichloro-6-(2',3',4'-trimethoxyphenyl)bicyclo[4.1.0]heptane-2,3-diol](/api/spectrum/IT0WajsRfhj/structure.png?h=300&w=458 "(1.alpha.,2.alpha.,3.beta.,6.alpha.)-7,7-dichloro-6-(2',3',4'-trimethoxyphenyl)bicyclo[4.1.0]heptane-2,3-diol")
