| SpectraBase Spectrum ID |
8C6h5QsqmmC |
| Name |
1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, 3,5-dinitrobenzoate, [1aS-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]- |
| Alternate Name(s) |
(1aS,4aS,7S,7aS,7bS)-1,1,7-trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-yl 3,5-dinitrobenzoate
[1aS-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]-1,1,7-trimethyl-3,5-dinitrobenzo-4-methylenperhydro-1H-cycloprop[e]azulen-7-ol |
| CAS Registry Number |
77399-48-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26N2O6 |
| InChI |
InChI=1S/C22H26N2O6/c1-12-5-6-17-19(21(17,2)3)18-16(12)7-8-22(18,4)30-20(25)13-9-14(23(26)27)11-15(10-13)24(28)29/h9-11,16-19H,1,5-8H2,2-4H3/t16-,17+,18+,19+,22+/m1/s1 |
| InChIKey |
YOMVOJPRNBZZNJ-PEXPKUBFSA-N |
| Molecular Weight |
414.458 g/mol |
| SMILES |
[C@]12(C(C)(C)[C@]2(CCC([C@@]2([C@@]1([C@@](OC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)(CC2)C)[H])[H])=C)[H])[H] |
| SPLASH |
splash10-0pb9-4970000000-dd2207532669c36ffc1c |
| Source of Spectrum |
K-114-130-0 |
| Wiley ID |
1375362 |
![1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, 3,5-dinitrobenzoate, [1aS-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]-](/api/spectrum/8C6h5QsqmmC/structure.png?h=300&w=458 "1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, 3,5-dinitrobenzoate, [1aS-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]-")
