| SpectraBase Spectrum ID |
4oUaGMssvJ |
| Name |
rel-(3S,3aR,5aR,8aS,8bR)-3a,4,5,8,8a,8b-hexahydro-3,5a-methano-5aH-cyclopenta[de]-1-benzopyran-2,9(3H)-dione |
| Alternate Name(s) |
(1S,4R,5S,8S,12R)-7-oxatetracyclo[6.3.1.1(1,5).0(4,12)]tridec-10-ene-6,13-dione |
| CAS Registry Number |
114837-72-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12O3 |
| InChI |
InChI=1S/C12H12O3/c13-10-8-6-3-5-12(10)4-1-2-7(9(6)12)15-11(8)14/h1,4,6-9H,2-3,5H2/t6-,7+,8+,9+,12-/m1/s1 |
| InChIKey |
QDCGHGVQTWHQJY-NVHVNNGRSA-N |
| Molecular Weight |
204.225 g/mol |
| SMILES |
[C@@]12(C([C@@]34C=CC[C@]([C@@]3([C@@]2(CC4)[H])[H])([H])OC1=O)=O)[H] |
| SPLASH |
splash10-014l-5910000000-8a2704334e199198d450 |
| Source of Spectrum |
J-53-3216-30 |
| Wiley ID |
1201825 |
![rel-(3S,3aR,5aR,8aS,8bR)-3a,4,5,8,8a,8b-hexahydro-3,5a-methano-5aH-cyclopenta[de]-1-benzopyran-2,9(3H)-dione](/api/spectrum/4oUaGMssvJ/structure.png?h=300&w=458 "rel-(3S,3aR,5aR,8aS,8bR)-3a,4,5,8,8a,8b-hexahydro-3,5a-methano-5aH-cyclopenta[de]-1-benzopyran-2,9(3H)-dione")
