2-amino-3-[[(6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-keto-2-methyl-heptyl]thio]propionic acid
Compound with spectra: 1 NMR
![2-amino-3-[[(6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-keto-2-methyl-heptyl]thio]propionic acid](/api/compound/5pGore5FcVE.png?ph=true&h=300&w=458 "2-amino-3-[[(6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-keto-2-methyl-heptyl]thio]propionic acid")
| SpectraBase Compound ID | 5pGore5FcVE |
|---|---|
| InChI | InChI=1S/C37H68N4O4S/c1-24(8-11-32(42)25(2)22-46-23-31(39)35(44)45)28-9-10-29-34-30(13-15-37(28,29)4)36(3)14-12-27(20-26(36)21-33(34)43)41-19-7-18-40-17-6-5-16-38/h24-31,33-34,40-41,43H,5-23,38-39H2,1-4H3,(H,44,45)/t24-,25?,26-,27+,28?,29+,30+,31?,33-,34+,36+,37-/m1/s1 |
| InChIKey | HBOQOYRDTBMRAJ-YMTPJGBOSA-N |
| Mol Weight | 665.0 g/mol |
| Molecular Formula | C37H68N4O4S |
| Exact Mass | 664.496128 g/mol |
| Enantiomer InChIKey | HBOQOYRDTBMRAJ-APAHVCNVSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
[(6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-keto-2-methyl-heptyl] hydrogen sulfate
(6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-1-en-3-one
BBVHNXGALDVEEE-BSWGVASXSA-N
SQUALAMINE
[(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S)-3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulfate
DEGRADANT_A
(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
(3S,5S,7S,8R,9S,10S,13R,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
3.beta.,26-bis[(t-Butyldimethyl)silyloxy]-5.alpha.-cholestan-7.alpha.-ol
3.beta.,26-bis[(t-Butyldimethyl)silyloxy]-5.alpha.-cholestan-7.beta.-ol
| Title | Journal or Book | Year |
|---|---|---|
| Aminosterols from the Dogfish Shark Squalus acanthias | Journal of Natural Products | 2000 |