| SpectraBase Spectrum ID |
88q5b3xPGbZ |
| Name |
(alpha-(2)S,2R,4S,5R)-alpha-2-{(3S)-3-{(2R,4aR,6R,8aS)-6-[(2S,5R)-5-Bromotetrahydro-2,6,6-trimethyl-2H-pyran-2-yl]octahydro-8a-methylpyrano[3,2-b]pyran-2-yl}-3-hydroxybutyl}tetrahydro-4-hydroxy-alpha-5,alpha-5,2-trimetylfuran-2,5-dimethanol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H53BrO8 |
| InChI |
InChI=1S/C30H53BrO8/c1-25(2,34)24-18(32)17-30(8,38-24)20(33)12-14-27(5,35)21-9-10-22-28(6,37-21)16-13-23(36-22)29(7)15-11-19(31)26(3,4)39-29/h18-24,32-35H,9-17H2,1-8H3/t18-,19+,20-,21+,22+,23+,24+,27-,28-,29-,30+/m0/s1 |
| InChIKey |
WMQSTAGWZIVTEI-UMPSJSFSSA-N |
| Literature Reference DOI |
10.1002/hlca.200890207 |
| Molecular Weight |
621.650 g/mol |
| SMILES |
O[C@@]1([C@@](O[C@@]([C@](CC[C@]([C@]2(CC[C@@]3([C@](C)(CC[C@]([H])([C@]4(OC(C)(C)[C@](Br)(CC4)[H])C)O3)O2)[H])[H])(C)O)(O)[H])(C1)C)(C(C)(C)O)[H])[H] |
| SPLASH |
splash10-054o-2690000000-6d082cac640421f76f3f |
| Source of Spectrum |
H-91-1945-2 |
| Synonyms |
(21alpha)-21-Hydroxythyrsiferol
(1S,4S)-4-((2R,4aR,6R,8aS)-6-((2S,5R)-5-bromo-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-8a-methyloctahydropyrano[3,2-b]pyran-2-yl)-1-((2R,4S,5R)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)pentane-1,4-diol |
| Wiley ID |
1785723 |
![(alpha-(2)S,2R,4S,5R)-alpha-2-{(3S)-3-{(2R,4aR,6R,8aS)-6-[(2S,5R)-5-Bromotetrahydro-2,6,6-trimethyl-2H-pyran-2-yl]octahydro-8a-methylpyrano[3,2-b]pyran-2-yl}-3-hydroxybutyl}tetrahydro-4-hydroxy-alpha-5,alpha-5,2-trimetylfuran-2,5-dimethanol](/api/spectrum/88q5b3xPGbZ/structure.png?h=300&w=458 "(alpha-(2)S,2R,4S,5R)-alpha-2-{(3S)-3-{(2R,4aR,6R,8aS)-6-[(2S,5R)-5-Bromotetrahydro-2,6,6-trimethyl-2H-pyran-2-yl]octahydro-8a-methylpyrano[3,2-b]pyran-2-yl}-3-hydroxybutyl}tetrahydro-4-hydroxy-alpha-5,alpha-5,2-trimetylfuran-2,5-dimethanol")
