Fecosterol

CAS

516-86-9

Catalog Number

ACM516869

Category

Steroidal Compounds

Molecular Weight

398.66

Molecular Formula

C₂₈H₄₆O

MSDS COA Spec Sheet

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Specification

Synonyms

Fecosterol; 24-Methylene-5alpha-cholest-8-en-3beta-ol; 24-methylene-cholest-8-en-3beta-ol; (3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;

IUPAC Name

(3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Canonical SMILES

CC(C)C(=C)CCC(C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4)O)C)C

InChI Key

SLQKYSPHBZMASJ-QKPORZECSA-N

Boiling Point

489.7ºC at 760 mmHg

Flash Point

213.6ºC

Density

0.99g/cm³

Exact Mass

398.35500

What is the PubChem CID for Fecosterol?

The PubChem CID for Fecosterol is 440371.

What is the molecular formula of Fecosterol?

The molecular formula of Fecosterol is C28H46O.

What is the molecular weight of Fecosterol?

The molecular weight of Fecosterol is 398.7 g/mol.

What is the IUPAC name of Fecosterol?

The IUPAC name of Fecosterol is (3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.

What is the InChI of Fecosterol?

The InChI of Fecosterol is InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18,20-22,24-25,29H,3,7-17H2,1-2,4-6H3/t20-,21+,22+,24-,25+,27+,28-/m1/s1.

What is the Canonical SMILES of Fecosterol?

The Canonical SMILES of Fecosterol is CC(C)C(=C)CCC(C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4)O)C)C.

What is the CAS number of Fecosterol?

The CAS number of Fecosterol is 516-86-9.

What is the UNII of Fecosterol?

The UNII of Fecosterol is 48A2TY6K38.

What is the XLogP3-AA value of Fecosterol?

The XLogP3-AA value of Fecosterol is 8.1.

What is the Topological Polar Surface Area of Fecosterol?

The Topological Polar Surface Area of Fecosterol is 20.2Å².

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