Dihydrocholesterol-3-sulfate sodium

CAS

56816-66-1

Catalog Number

ACM56816661

Category

Steroidal Compounds

Molecular Weight

490.72

Molecular Formula

C₂₇H₄₇NaO₄S

MSDS COA Spec Sheet

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Specification

Synonyms

5α-Cholestanyl-(3α)-hydrogensulfat,Natrium-Salz;

IUPAC Name

sodium;[(3S,5S,8R,9S,10S,13R,14S,17R)-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-3-yl]sulfate

Canonical SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)[O-])C)C.[Na+]

InChI Key

SGDWDLSGPWPYIH-AXWYGDOUSA-M

Exact Mass

490.30900

What is the molecular formula of dihydrocholesterol-3-sulfate sodium?

The molecular formula of dihydrocholesterol-3-sulfate sodium is C27H47NaO4S.

What are the synonyms of dihydrocholesterol-3-sulfate sodium?

The synonyms of dihydrocholesterol-3-sulfate sodium are DIHYDROCHOLESTEROL-3-SULFATE SODIUM, 56816-66-1, and 5a-cholestan-3b-yl sulfate sodium salt.

What is the molecular weight of dihydrocholesterol-3-sulfate sodium?

The molecular weight of dihydrocholesterol-3-sulfate sodium is 490.7 g/mol.

What is the parent compound of dihydrocholesterol-3-sulfate sodium?

The parent compound of dihydrocholesterol-3-sulfate sodium is CID 90473605 (5a-Cholestan-3b-ol sulfate).

What are the component compounds of dihydrocholesterol-3-sulfate sodium?

The component compounds of dihydrocholesterol-3-sulfate sodium are CID 90473605 (5a-Cholestan-3b-ol sulfate) and CID 5360545 (Sodium).

When was dihydrocholesterol-3-sulfate sodium created?

Dihydrocholesterol-3-sulfate sodium was created on February 16, 2015.

When was dihydrocholesterol-3-sulfate sodium last modified?

Dihydrocholesterol-3-sulfate sodium was last modified on November 25, 2023.

What is the IUPAC name of dihydrocholesterol-3-sulfate sodium?

The IUPAC name of dihydrocholesterol-3-sulfate sodium is sodium;[(3S,5S,8R,9S,10S,13R,14S,17R)-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-3-yl] sulfate.

What is the InChI key of dihydrocholesterol-3-sulfate sodium?

The InChI key of dihydrocholesterol-3-sulfate sodium is SGDWDLSGPWPYIH-AXWYGDOUSA-M.

What is the canonical SMILES of dihydrocholesterol-3-sulfate sodium?

The canonical SMILES of dihydrocholesterol-3-sulfate sodium is CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)[O-])C)C.[Na+].