| SpectraBase Spectrum ID |
JdpIzdfHC3G |
| Name |
1H-3,6a-Methanocyclopent[c]oxocin-4-carboxylic acid, 7-(1,5-dimethylhexyl)octahydro-, methyl ester, [3R-[3.alpha.,4.beta.,6a.alpha.,7.beta.(R*),9a.beta.]]- |
| CAS Registry Number |
110623-79-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O3 |
| InChI |
InChI=1S/C21H36O3/c1-14(2)6-5-7-15(3)18-9-8-16-13-24-19-12-21(16,18)11-10-17(19)20(22)23-4/h14-19H,5-13H2,1-4H3/t15?,16-,17+,18+,19+,21+/m1/s1 |
| InChIKey |
KZRNRWCIWQGZEB-WCHCYWKCSA-N |
| Molecular Weight |
336.516 g/mol |
| SMILES |
[C@]123C[C@@]([H])([C@](CC3)(C(=O)OC)[H])OC[C@]1(CC[C@]2(C(CCCC(C)C)C)[H])[H] |
| SPLASH |
splash10-0019-4391000000-4db06ee9794b71e524d2 |
| Source of Spectrum |
B-39-2118-14 |
| Synonyms |
4-Methoxycarbonyl-10-(1,5-dimethyl-hexyl)-12-oxa-tricyclo[6.3.1(1,5).0(1,7)]dodecane
Methyl (1R,2S,5S,8R,9S)-2-(1,5-dimethylhexyl)-7-oxatricyclo[6.3.1.0(1,5)]dodecane-9-carboxylate |
| Wiley ID |
1332717 |
![1H-3,6a-Methanocyclopent[c]oxocin-4-carboxylic acid, 7-(1,5-dimethylhexyl)octahydro-, methyl ester, [3R-[3.alpha.,4.beta.,6a.alpha.,7.beta.(R*),9a.beta.]]-](/api/spectrum/JdpIzdfHC3G/structure.png?h=300&w=458 "1H-3,6a-Methanocyclopent[c]oxocin-4-carboxylic acid, 7-(1,5-dimethylhexyl)octahydro-, methyl ester, [3R-[3.alpha.,4.beta.,6a.alpha.,7.beta.(R*),9a.beta.]]-")
