| SpectraBase Spectrum ID |
BZdSokkT7P2 |
| Name |
(3.beta.-5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol [24R,25-dihydroxyvitamin D3] |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O3 |
| InChI |
InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25-,27-/m1/s1 |
| InChIKey |
FCKJYANJHNLEEP-XRWYNYHCSA-N |
| Molecular Weight |
416.646 g/mol |
| SMILES |
O[C@]1(CCC(\C(=C/C=C/2[C@]3([C@@]([C@@]([C@@](CC[C@](C(O)(C)C)(O)[H])(C)[H])(CC3)[H])(CCC2)C)[H])C1)=C)[H] |
| SPLASH |
splash10-014i-0001900000-dd8b1e604a47afc82fe3 |
| Source of Spectrum |
QE-8-2751-1 |
| Synonyms |
(3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
(3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
(3R,6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5S)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-2,3-diol |
| Wiley ID |
1557747 |
![(3.beta.-5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol [24R,25-dihydroxyvitamin D3]](/api/spectrum/BZdSokkT7P2/structure.png?h=300&w=458 "(3.beta.-5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol [24R,25-dihydroxyvitamin D3]")
