Compound Summary
Pregnenolone sulfate sodium
Compound Information
Pregnenolone sulfate sodium
Compound Name: | Pregnenolone sulfate sodium |
Compound CID: | 23682212 |
Synonyms: | Pregnenolone sulfate sodium |
Iupac Name: | sodium;[(3S,10R,13S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate |
InChI: | InChI=1S/C21H32O5S.Na/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;/h4,15-19H,5-12H2,1-3H3,(H,23,24,25);/q;+1/p-1/t15-,16?,17+,18?,19?,20-,21+;/m0./s1 |
InChIKey: | QQVJEIZJHDPTSH-SLWMDVAGSA-M |
Canonical Smiles: | CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)[O-])C)C.[Na+] |
Isomeric Smiles: | CC(=O)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)C.[Na+] |
Molecular Weight: | 418.5 |
Molecular Formula: | C21H31NaO5S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Pregnenolone sulfate sodium
Molecular Weight: | 418.5 |
Molecular Formula: | C21H31NaO5S |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 28 |
Complexity: | 772 |
Synonyms
Pregnenolone sulfate sodium
Experimental Data
Pregnenolone sulfate sodium
Experimental Data Visualization
Pregnenolone sulfate sodium
Statistics Data
Pregnenolone sulfate sodium
Statistics Data Visualization
Pregnenolone sulfate sodium
