Alternative Energy / Alfa Chemistry

Pregnanolone sulfate pyridinium salt

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Pregnanolone sulfate pyridinium salt

Catalog Number
ACM124107397
CAS
124107-39-7
IUPAC Name
[(3R,5R,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate;pyridin-1-ium
Molecular Weight
477.7

Product Information

Canonical SMILES
CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)[O-])C)C.C1=CC=[NH+]C=C1
InChI
InChI=1S/C21H34O5S.C5H5N/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;1-2-4-6-5-3-1/h14-19H,4-12H2,1-3H3,(H,23,24,25);1-5H/t14-,15-,16+,17-,18+,19+,20+,21-;/m1./s1
InChI Key
MRONXFCVCNETJP-GEVXNLERSA-N
Melting Point
>170° C
Purity
99%+
Storage
2-8 °C
Complexity
730
Covalently-Bonded Unit Count
2
Exact Mass
477.25489452
Heavy Atom Count
33
Monoisotopic Mass
477.25489452
Topological Polar Surface Area
106 Ų
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