| SpectraBase Spectrum ID |
BJUUwNWpA5r |
| Name |
(1S,3R)-5-(Z,2E)-2-((3S)-3-(1R,2R)-6-Hydroxy-1,2,6-trimethy-4-heptynyl)-3-methylcyclohexenyl)ethylidene)-4-methylcyclohexen-1,3-diol [Previtamin] |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H40O3 |
| InChI |
InChI=1S/C26H40O3/c1-18(9-7-13-25(4,5)29)20(3)26(6)14-8-10-21(17-26)11-12-22-15-23(27)16-24(28)19(22)2/h10-12,18,20,23-24,27-29H,8-9,14-17H2,1-6H3/b12-11-/t18-,20-,23-,24+,26+/m1/s1 |
| InChIKey |
AOASUODKVOUTSS-SXEQZLRJSA-N |
| Molecular Weight |
400.603 g/mol |
| SMILES |
O[C@]1(C[C@@](CC(=C1C)\C=C/C=1C[C@]([C@@]([C@@](CC#CC(O)(C)C)(C)[H])(C)[H])(C)CCC1)(O)[H])[H] |
| SPLASH |
splash10-0006-9100000000-115e56a3a52ab27fa815 |
| Source of Spectrum |
F2-42-3554-51 |
| Synonyms |
(1R,3S)-5-[(Z)-2-[(5S)-5-[(2R,3R)-7-hydroxy-3,7-dimethyloct-5-yn-2-yl]-5-methyl-1-cyclohexenyl]ethenyl]-4-methylcyclohex-4-ene-1,3-diol
(1R,3S)-5-[(Z)-2-[(5S)-5-[(2R,3R)-7-hydroxy-3,7-dimethyloct-5-yn-2-yl]-5-methylcyclohexen-1-yl]ethenyl]-4-methylcyclohex-4-ene-1,3-diol
(1R,3S)-5-[(Z)-2-[(5S)-5-[(2R,3R)-3,7-dimethyl-7-oxidanyl-oct-5-yn-2-yl]-5-methyl-cyclohexen-1-yl]ethenyl]-4-methyl-cyclohex-4-ene-1,3-diol |
| Wiley ID |
1600317 |
![(1S,3R)-5-(Z,2E)-2-((3S)-3-(1R,2R)-6-Hydroxy-1,2,6-trimethy-4-heptynyl)-3-methylcyclohexenyl)ethylidene)-4-methylcyclohexen-1,3-diol [Previtamin]](/api/spectrum/BJUUwNWpA5r/structure.png?h=300&w=458 "(1S,3R)-5-(Z,2E)-2-((3S)-3-(1R,2R)-6-Hydroxy-1,2,6-trimethy-4-heptynyl)-3-methylcyclohexenyl)ethylidene)-4-methylcyclohexen-1,3-diol [Previtamin]")
