| SpectraBase Spectrum ID |
JZfbja2f0O2 |
| Name |
(6aS,9R,10aR)-6a,7,8,9,10,10a-Hexahydro-1,9-dihydroxy-6,6-dimethyl-6H-benzo[c]chromene-3-carbonitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19NO3 |
| InChI |
InChI=1S/C16H19NO3/c1-16(2)12-4-3-10(18)7-11(12)15-13(19)5-9(8-17)6-14(15)20-16/h5-6,10-12,18-19H,3-4,7H2,1-2H3/t10-,11-,12-/m1/s1 |
| InChIKey |
XWURGZUUCCGLFE-IJLUTSLNSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm100390h |
| Molecular Weight |
273.332 g/mol |
| Optical Rotation |
[a]D23 = -152.6o (c = 0.010, MeOH) |
| SMILES |
Oc1cc(cc2c1[C@]1([C@@](CC[C@](C1)(O)[H])(C(O2)(C)C)[H])[H])C#N |
| SPLASH |
splash10-03kc-1090000000-7e4bf84f284579cd8891 |
| Source of Spectrum |
AF-53-5664-45 |
| Wiley ID |
1846179 |
![(6aS,9R,10aR)-6a,7,8,9,10,10a-Hexahydro-1,9-dihydroxy-6,6-dimethyl-6H-benzo[c]chromene-3-carbonitrile](/api/spectrum/JZfbja2f0O2/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]chromene-3-carbonitrile")
