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Cholesterol sulfate

Cholesterol sulfate structure

CAS No:
1256-86-6
Formula:
C27H46O4S
Chemical Name:
Cholesterol sulfate
Synonyms:
Cholest-5-en-3-ol (3β)-,hydrogen sulfate;Cholesterol,hydrogen sulfate;Cholesterol sulfate;Cholesteryl sulfate;5-Cholesten-3β-yl sulfate;Cholest-5-en-3β-ol sulfate;Cholesterol 3-sulfate;1491-95-8;127565-97-3;2608049-98-3
Categories:
Chemical Reagents > Organic Reagents

Description

Solid

Cholesterol sulfate is a steroid sulfate that is cholesterol substituted by a sulfoxy group at position 3. It has a role as a human metabolite. It derives from a cholesterol. It is a conjugate acid of a cholesterol sulfate(1-).|Component of human seminal plasma & spermatozoa.

Cholesterol sulfate Basic Attributes

Molecular Weight：

466.71700

Exact Mass：

466.72

UNII：

KU576NT9O9

Characteristics

PSA：

71.98000

XLogP3：

8.29660

Appearance：

Solid

Density：

1.12g/cm3

Collision Cross Section：

237.01 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Drug Information

MeSH：

Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved. (See all compounds classified as Anticarcinogenic Agents.)|Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES. (See all compounds classified as Serine Proteinase Inhibitors.)

MeSH Entry Terms：

cholesterol sulfate

Cholesterol sulfate Use and Manufacturing

Use Classification：

Lipids -> Sterol Lipids [ST] -> Steroid conjugates [ST05] -> Sulfates [ST0502]

Computed Properties

Molecular Weight:466.7
XLogP3:8.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:466.31168112
Monoisotopic Mass:466.31168112
Topological Polar Surface Area:72
Heavy Atom Count:32
Complexity:812
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes