| SpectraBase Spectrum ID |
3d0cwhAIxsD |
| Name |
epivitamin D(2) |
| CAS Registry Number |
116559-84-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H44O |
| InChI |
InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20?,22?,25?,26-,27?,28-/m1/s1 |
| InChIKey |
MECHNRXZTMCUDQ-XMQIRGPTSA-N |
| Molecular Weight |
396.659 g/mol |
| SMILES |
OC1C\C(=C\C=C\2C3[C@@]([C@](CC3)(C(\C=C\C(C(C)C)C)C)[H])(CCC2)C)C(CC1)=C |
| SPLASH |
splash10-0002-0039000000-fe1424ebe7e416bc3652 |
| Source of Spectrum |
J-53-6098-2 |
| Synonyms |
(5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol
(3Z)-3-[(2E)-2-[(1R,7aR)-1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
(3Z)-3-[(2E)-2-[(1R,7aR)-1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
(3Z)-3-[(2E)-2-[(1R,7aR)-1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol |
| Wiley ID |
1367799 |
