| SpectraBase Spectrum ID |
KNpatUeRlAQ |
| Name |
(1.alpha.,2.beta.,3.alpha.,6.alpha.,7.beta.,8.alpha.,9.alpha.,13.alpha.)-11-oxapentacyclo[6.5.2.2(3,6).0(2,7).0(9,13)]heptadeca-4,14,16-trien-4,5-dicarboxyloic acid anhydride |
| Alternate Name(s) |
(1S,2S,3R)-6,14-dioxahexacyclo[9.5.2.2(3,9).0(2,10).0(4,8).0(12,16)]icosa-4(8),17,19-triene-5,7-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H16O4 |
| InChI |
InChI=1S/C18H16O4/c19-17-15-9-3-4-10(16(15)18(20)22-17)14-8-2-1-7(13(9)14)11-5-21-6-12(8)11/h1-4,7-14H,5-6H2/t7-,8?,9-,10?,11+,12-,13+,14-/m1/s1 |
| InChIKey |
JBRICXLGCPXANM-MKXDDTHJSA-N |
| Molecular Weight |
296.322 g/mol |
| SMILES |
C12=C(C(=O)OC2=O)C2C=C[C@@]1([C@]1([C@@]2(C2C=C[C@@]1([C@@]1(COC[C@]21[H])[H])[H])[H])[H])[H] |
| SPLASH |
splash10-004i-9020000000-b1e991fb2ee006cafab3 |
| Source of Spectrum |
J-64-7263-1 |
| Wiley ID |
1531047 |
![(1.alpha.,2.beta.,3.alpha.,6.alpha.,7.beta.,8.alpha.,9.alpha.,13.alpha.)-11-oxapentacyclo[6.5.2.2(3,6).0(2,7).0(9,13)]heptadeca-4,14,16-trien-4,5-dicarboxyloic acid anhydride](/api/spectrum/KNpatUeRlAQ/structure.png?h=300&w=458 "(1.alpha.,2.beta.,3.alpha.,6.alpha.,7.beta.,8.alpha.,9.alpha.,13.alpha.)-11-oxapentacyclo[6.5.2.2(3,6).0(2,7).0(9,13)]heptadeca-4,14,16-trien-4,5-dicarboxyloic acid anhydride")
