| SpectraBase Spectrum ID |
Kc4dW54CjCb |
| Name |
(1.alpha.,2.beta.,3.beta.,8a.alpha.)-1,2,3,8a-tetrahydroxy-3-methoxy-1-nitro-2-phenylazulene |
| Alternate Name(s) |
(1R,2R,3S,3aR)-1-methoxy-3-nitro-2-phenyl-1,2,3,3a-tetrahydroazulene
(1R,2R,3S,3aR)-3-nitro-2-phenyl-1,2,3,3a-tetrahydro-1-azulenyl methyl ether |
| CAS Registry Number |
97962-33-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17NO3 |
| InChI |
InChI=1S/C17H17NO3/c1-21-17-14-11-7-3-6-10-13(14)16(18(19)20)15(17)12-8-4-2-5-9-12/h2-11,13,15-17H,1H3/t13-,15-,16+,17+/m1/s1 |
| InChIKey |
MEJAIBQRQTTYBK-SIXLDLHFSA-N |
| Molecular Weight |
283.327 g/mol |
| SMILES |
[C@@]1([C@]([C@@](OC)(C=2[C@]1(C=CC=CC2)[H])[H])(c1ccccc1)[H])(N(=O)=O)[H] |
| SPLASH |
splash10-0a4r-0090000000-be5bac64e9fce32a36d3 |
| Source of Spectrum |
K-118-1864-7 |
| Wiley ID |
1287080 |
