CRT
Summary
| Name: | SPIRILLOXANTHIN |
| Synonyms: | RHODOVIOLASCIN |
| Formula: | C42 H60 O2 |
| Formal charge: | 0 |
| Formula weight: | 596.925 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3E,3'E,15cis)-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-carotene |
| OpenEye OEToolkits | 1.5.0 | (6E,8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(C)C(C)(C)C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\CC(OC)(C)C)C)C)C)C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(C)(C)C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)OC |
| SMILES | CACTVS | 3.341 | COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C/C(=C\C=C\C(=C\C=C\C(=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)\C)\C)/C=CCC(C)(C)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C=CCC(C)(C)OC |
| InChI | InChI | 1.03 | InChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13-,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+ |
| InChIKey | InChI | 1.03 | VAZQBTJCYODOSV-RISZBRKMSA-N |
