0IP
Summary
| Name: | Terretonin C |
| Formula: | C24 H30 O7 |
| Formal charge: | 0 |
| Formula weight: | 430.491 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{a}~{S},4~{b}~{R},10~{a}~{R},10~{b}~{R},12~{a}~{S})-2,4~{b},7,7,10~{a},12~{a}-hexamethyl-12-methylidene-6,10~{b}-bis(oxidanyl)-4~{a},9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H30O7/c1-11-10-24(30)21(5)9-8-13(25)20(3,4)15(21)14(26)18(28)23(24,7)16-19(29)31-12(2)17(27)22(11,16)6/h12,16,26,30H,1,8-10H2,2-7H3/t12-,16-,21+,22+,23-,24+/m0/s1 |
| InChIKey | InChI | 1.03 | BSUMMOUMVQVPGZ-JUKAANMSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1OC(=O)[C@H]2[C@@](C)(C(=C)C[C@@]3(O)[C@]4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)[C@]23C)C1=O |
| SMILES | CACTVS | 3.385 | C[CH]1OC(=O)[CH]2[C](C)(C(=C)C[C]3(O)[C]4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)[C]23C)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1C(=O)[C@]2([C@H](C(=O)O1)[C@]3(C(=O)C(=C4[C@]([C@@]3(CC2=C)O)(CCC(=O)C4(C)C)C)O)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(=O)C2(C(C(=O)O1)C3(C(=O)C(=C4C(C(=O)CCC4(C3(CC2=C)O)C)(C)C)O)C)C |
