| SpectraBase Spectrum ID |
GkBYabZxVD6 |
| Name |
Hypericin |
| Alternate Name(s) |
1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H16O8 |
| InChI |
InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3 |
| InChIKey |
BTXNYTINYBABQR-UHFFFAOYSA-N |
| Molecular Weight |
504.450 g/mol |
| SMILES |
Oc1c2c3c(c4c5c6c7c(C(c5c(cc4C)O)=O)c(cc(c7c4c(c(C2=O)c(cc4O)O)c36)O)O)c(c1)C |
| SPLASH |
splash10-0gb9-0900010000-d29d3b5fa50e2c16dd3c |
| Source of Spectrum |
BW-2001-0-300 |
| Wiley ID |
811401 |
