CASTASTERONE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 6DmU1qrtfGw |
|---|---|
| InChI | InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,23+,24-,25+,26+,27-,28-/m1/s1 |
| InChIKey | VYUIKSFYFRVQLF-RYTXDZBGSA-N |
| Mol Weight | 464.7 g/mol |
| Molecular Formula | C28H48O5 |
| Exact Mass | 464.350175 g/mol |
| Enantiomer InChIKey | VYUIKSFYFRVQLF-HDLNVXNJSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3:CD3OD=4:1 |
(2S,3R,5R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
HOMO-CASTASTERONE
(2S,3R,5R,8S,9S,10R,13S,14S,17R)-17-[(1S,2S,3S,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
(22R,23R,24R)-24-Azido-26,27,28-trinorcastasterone-2,3,22,23-tetraol
DOLICHOSTERONE
3-DEHYDRO-24-EPI-CASTASTERONE
(3R,5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S,3R,4R,5S)-6-methyl-3,4-bis(oxidanyl)-5-(trifluoromethyl)heptan-2-yl]-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
(22R,23R,24R)-2.alpha.,3.alpha.,22,23-Tetrahydroxy-B-homo-7-oxo-5.alpha.-ergostan-6-one
(22S,23S)-2ALPHA,3ALPHA;22,23-DIEPOXY-5ALPHA-ERGOSTAN-6-ONE
| Title | Journal or Book | Year |
|---|---|---|
| 13C NMR assignments of brassinosteroids by two-dimensional techniques | Magnetic Resonance in Chemistry | 1993 |
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.