| SpectraBase Compound ID | 7VWfe8p0RCs |
|---|---|
| InChI | InChI=1S/C28H40O4/c1-22(12-8-9-13-23(2)16-17-25(29)32-7)14-10-15-24(3)18-21-28(31)26(4,5)19-11-20-27(28,6)30/h8-10,12-18,21,30-31H,11,19-20H2,1-7H3/b9-8+,14-10+,17-16+,21-18+,22-12+,23-13+,24-15+ |
| InChIKey | WTALGWBKIVKKSF-ISIUVVJESA-N |
| Mol Weight | 440.6 g/mol |
| Molecular Formula | C28H40O4 |
| Exact Mass | 440.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B28IPI8drrE |
|---|---|
| Name | 10'-Apo-.beta.,.psi.-carotenoic acid, 5,6-dihydro-5,6-dihydroxy-, methyl ester, (5R,6R)- |
| Alternate Name(s) | (2E,4E,6E,8E,10E,12E,14E)-15-(1,2-dihydroxy-2,6,6-trimethyl-cyclohexyl)-4,9,13-trimethyl-pentadeca-2,4,6,8,10,12,14-heptaenoic acid methyl ester 10'-Apo-.beta.,.psi.-carotenoic acid, 5,6-dihydro-5,6-dihydroxy-, methyl ester Methyl (2E,4E,6E,8E,10E,12E,14E)-15-(1,2-dihydroxy-2,6,6-trimethylcyclohexyl)-4,9,13-trimethyl-2,4,6,8,10,12,14-pentadecaheptaenoate 10'-Apo-.beta.-carotenoic acid, 5,6-dihydro-5,6-dihydroxy-, methyl ester 10'-apo-beta,psi-carotenoic acid, 5,6-dihydro-5,6-dihydroxy-, methyl ester, (5R,6R)- Azafrin methyl ester Methyl (2E,4E,6E,8E,10E,12E,14E)-15-(1,2-dihydroxy-2,6,6-trimethyl-cyclohexyl)-4,9,13-trimethyl-pentadeca-2,4,6,8,10,12,14-heptaenoate Methyl (2E,4E,6E,8E,10E,12E,14E)-4,9,13-trimethyl-15-[2,2,6-trimethyl-1,6-bis(oxidanyl)cyclohexyl]pentadeca-2,4,6,8,10,12,14-heptaenoate Methyl azafrinate Methyl ester of Azafrin (2E,4E,6E,8E,10E,12E,14E)-15-(1,2-dihydroxy-2,6,6-trimethylcyclohexyl)-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenoic acid methyl ester |
| CAS Registry Number | 1256-21-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H40O4 |
| InChI | InChI=1S/C28H40O4/c1-22(12-8-9-13-23(2)16-17-25(29)32-7)14-10-15-24(3)18-21-28(31)26(4,5)19-11-20-27(28,6)30/h8-10,12-18,21,30-31H,11,19-20H2,1-7H3/b9-8+,14-10+,17-16+,21-18+,22-12+,23-13+,24-15+ |
| InChIKey | WTALGWBKIVKKSF-ISIUVVJESA-N |
| Molecular Weight | 440.624 g/mol |
| SMILES | OC1(C(CCCC1(C)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C(OC)=O)C)C)C |
| SPLASH | splash10-0a6u-3900200000-f7047f99963dd4bc3087 |
| Source of Spectrum | H-61-829-0 |
| Wiley ID | 1384840 |