M36
Summary
| Name: | 7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid |
| Formula: | C31 H36 O8 |
| Formal charge: | 0 |
| Formula weight: | 536.613 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C31H36O8/c1-18(2)11-12-20-26-22(17-24(30(20)36-5)37-15-9-7-6-8-10-25(32)33)38-23-16-21-19(13-14-31(3,4)39-21)28(34)27(23)29(26)35/h11,13-14,16-17,34H,6-10,12,15H2,1-5H3,(H,32,33) |
| InChIKey | InChI | 1.03 | QHLZYKWHQKCZMD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1c(CC=C(C)C)c2C(=O)c3c(O)c4C=CC(C)(C)Oc4cc3Oc2cc1OCCCCCCC(O)=O |
| SMILES | CACTVS | 3.385 | COc1c(CC=C(C)C)c2C(=O)c3c(O)c4C=CC(C)(C)Oc4cc3Oc2cc1OCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCc1c2c(cc(c1OC)OCCCCCCC(=O)O)Oc3cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCc1c2c(cc(c1OC)OCCCCCCC(=O)O)Oc3cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C |
