[(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
Compound with spectra: 1 NMR
![[(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](/api/compound/I6GIEOSDd1F.png?ph=true&h=300&w=458 "[(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")
| SpectraBase Compound ID | I6GIEOSDd1F |
|---|---|
| InChI | InChI=1S/C34H63N3O6S/c1-23(8-11-30(38)24(2)22-43-44(40,41)42)27-9-10-28-32-29(13-15-34(27,28)4)33(3)14-12-26(20-25(33)21-31(32)39)37-19-7-18-36-17-6-5-16-35/h23-29,31-32,36-37,39H,5-22,35H2,1-4H3,(H,40,41,42)/t23-,24?,25-,26+,27?,28+,29+,31-,32+,33+,34-/m1/s1 |
| InChIKey | FPONVJDJOHMLCJ-CLEOBOEPSA-N |
| Mol Weight | 642.0 g/mol |
| Molecular Formula | C34H63N3O6S |
| Exact Mass | 641.443758 g/mol |
| Enantiomer InChIKey | FPONVJDJOHMLCJ-ZRJHQAKRSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
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
(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
N-[4N-cinnamylpiperazin-1-yl)-3.alpha.,7.alpha.-dihydroxy-5.beta.-cholan-24-amide
Taurochenodeoxycholic acid-3-sulfate (TCDCA-3S)-H
Chenodeoxycholic acid-3-Sulfate (CDCA-3S)
Ursodeoxycholic acid-3-Sulfate (UDCA-3S)
| Title | Journal or Book | Year |
|---|---|---|
| Aminosterols from the Dogfish Shark Squalus acanthias | Journal of Natural Products | 2000 |
This compound is available in the following databases:
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.