25-Hydroxylumisterol

HCID 22795352
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Basic information

CAS
61585-29-3
Standard SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C
InChIKey
JJFYNCJHSCTBPW-MKBCXXKJSA-N
Molecular formula
C27H44O2
Average molar mass
400.6 g/mol
Monoisotopic mass
400.33413064

Names & identifiers

Preferred name
25-Hydroxylumisterol
IUPAC
(3S,9R,10S,13R,14R,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
English name
25-HydroxyluMisterol3
Molecular formula
C27H44O2
Molecular weight
400.65

Names & synonyms

61585-29-325-HydroxylumisterolCalcifediol EP Impurity A9beta,10alpha-cholesta-5,7-diene-3beta,25-diol(3S,9R,10S,13R,14R,17R)-17-((R)-6-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olCalcifediol Monohydrate EP Impurity APRY2B8TL9MSCHEMBL11651794JJFYNCJHSCTBPW-MKBCXXKJSA-N(3beta,9beta,10alpha)-Cholesta-5,7-diene-3,25-diolCALCIFEDIOL MONOHYDRATE IMPURITY A [EP IMPURITY]Cholesta-5,7-diene-3,25-diol, (3beta,9beta,10alpha)-
Show more names
25-HydroxyluMisterol3IMpurity A of CalcifediolCalcitadiol EP Impurity A9B,10α-Cholesta-5,7-diene-3B,25-diol9β,10α-cholesta-5,7-diene-3β,25-diolCholesta-5,7-diene-3,25-diol, (3β,9β,10α)- (9CI)Calcifediol Impurity 1（Calcifediol EP Impurity A）
25-Hydroxylumisterol; Cholesta-5,7-diene-3,25-diol, (3ss,9ss,10a)- (9CI); 25-Hydroxylumisterol3; 9ss,10a-Cholesta-5,7-diene-3ss,25-diol; Calcifediol Imp. A (EP)

Database identifiers

CAS
61585-29-3
PubChem CID
22795352
UNII
PRY2B8TL9M

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
29

Physicochemical properties

Boiling point
527 · 527.0±43.0 °C(Predicted)
Density
1.05 · 1.05±0.1 g/cm3(Predicted)
pka
14.91 · 14.91±0.70(Predicted)
InChIKey
JJFYNCJHSCTBPW-CEEMJFACNA-N
SMILES
C[C@]12CC[C@@]3([H])[C@@]4(CC[C@H](O)CC4=CC=C3[C@]1([H])CC[C@]2([H])[C@H](C)CCCC(O)(C)C)C |&1:1,4,6,9,16,20,22,r|

Chemistry & industry

Applications · 1 item

Uses25-Hydroxylumisterol (Cholesterol Impurity 7) is an impurity of Cholesterol, which is a major component of all biological membranes. Cholesterol is the principal sterol of the higher animals. Cholesterol was found in all body tissues, especial in the brain, spinal cord, and in animal fats or oils.

Suppliers15 total

济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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