| SpectraBase Spectrum ID |
Kcb8sgfS9IQ |
| Name |
(6aS,9R,10aR)-6a,7,8,9,10,10a-Hexahydro-1,9-dihydroxy-6,6- dimethyl-6H-benzo[c]chromen-3-yl trifluoromethanesulfonate |
| Appearance |
White foam |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19F3O6S |
| InChI |
InChI=1S/C16H19F3O6S/c1-15(2)11-4-3-8(20)5-10(11)14-12(21)6-9(7-13(14)24-15)25-26(22,23)16(17,18)19/h6-8,10-11,20-21H,3-5H2,1-2H3/t8-,10-,11-/m1/s1 |
| InChIKey |
WQXAMXHRUWRPSI-FBIMIBRVSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm100390h |
| Molecular Weight |
396.377 g/mol |
| Optical Rotation |
[a]D23 = -63.9o (c = 0.015, CH2Cl2) |
| SMILES |
Oc1cc(cc2c1[C@]1([C@@](CC[C@](C1)(O)[H])(C(O2)(C)C)[H])[H])OS(C(F)(F)F)(=O)=O |
| SPLASH |
splash10-000i-2009000000-dd7e38cba861bd3c147e |
| Source of Spectrum |
AF-53-5663-27 |
| Wiley ID |
1846171 |
![(6aS,9R,10aR)-6a,7,8,9,10,10a-Hexahydro-1,9-dihydroxy-6,6- dimethyl-6H-benzo[c]chromen-3-yl trifluoromethanesulfonate](/api/spectrum/Kcb8sgfS9IQ/structure.png?h=300&w=458 "(6aS,9R,10aR)-6a,7,8,9,10,10a-Hexahydro-1,9-dihydroxy-6,6- dimethyl-6H-benzo[c]chromen-3-yl trifluoromethanesulfonate")
