| SpectraBase Spectrum ID |
HrWSmOBCEqy |
| Name |
3H-3,8a-Methano-1H-2-benzopyran-6-carboxylic acid, 4,4a,7,8-tetrahydro-3-methyl-1-oxo-9-(3-oxo-1-butenyl)-, methyl ester, [3.alpha.,4a.beta.,8a.alpha.,9S*(E)]- |
| Alternate Name(s) |
3-Methyl-6-methoxycarbonyl-1a,3-(acetylethenylmethano)-4,7,8-trihydro-2,1-benzopyrone
Methyl (1S,6S,8R,11S)-8-methyl-10-oxo-11-[(1E)-3-oxo-1-butenyl]-9-oxatricyclo[6.2.1.0(1,6)]undec-4-ene-4-carboxylate |
| CAS Registry Number |
115226-74-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20O5 |
| InChI |
InChI=1S/C17H20O5/c1-10(18)4-5-13-16(2)9-12-8-11(14(19)21-3)6-7-17(12,13)15(20)22-16/h4-5,8,12-13H,6-7,9H2,1-3H3/b5-4+/t12-,13-,16+,17+/m1/s1 |
| InChIKey |
YOIXHVIHZZQMKL-MPHUOYHTSA-N |
| Molecular Weight |
304.342 g/mol |
| SMILES |
[C@@]123C(O[C@@]([C@]3(\C=C\C(=O)C)[H])(C)C[C@]1(C=C(CC2)C(=O)OC)[H])=O |
| SPLASH |
splash10-0a4l-8930000000-4bba359d80e0c966fab9 |
| Source of Spectrum |
J-53-3709-7 |
| Wiley ID |
1306456 |
![3H-3,8a-Methano-1H-2-benzopyran-6-carboxylic acid, 4,4a,7,8-tetrahydro-3-methyl-1-oxo-9-(3-oxo-1-butenyl)-, methyl ester, [3.alpha.,4a.beta.,8a.alpha.,9S*(E)]-](/api/spectrum/HrWSmOBCEqy/structure.png?h=300&w=458 "3H-3,8a-Methano-1H-2-benzopyran-6-carboxylic acid, 4,4a,7,8-tetrahydro-3-methyl-1-oxo-9-(3-oxo-1-butenyl)-, methyl ester, [3.alpha.,4a.beta.,8a.alpha.,9S*(E)]-")
