CAS 16732-86-8 | CHOLEST-4-ENE | CAS Number 16732-86-8

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16732-86-8 | CHOLEST-4-ENE

CAS No: 16732-86-8 Catalog No: AG001XBL MDL No:

Product Description

Catalog Number:

AG001XBL

Chemical Name:

CHOLEST-4-ENE

CAS Number:

16732-86-8

Molecular Formula:

C27H46

Molecular Weight:

370.6541

IUPAC Name:

(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

InChI:

InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h11,19-20,22-25H,6-10,12-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1

InChI Key:

YWHWYTRNKBGSRE-HKQCOZBKSA-N

SMILES:

CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CCCC[C@]12C)C)C

EC Number:

240-800-9

Properties

Complexity:

556

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

370.36g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

370.665g/mol

Monoisotopic Mass:

370.36g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

10.1

Literature

Title	Journal
Vitamin A deficiency during pregnancy of HIV infected and non-infected women in tropical settings of Northwest Ethiopia.	BMC public health 20110101
Efficient biotransformations using Escherichia coli with tolC acrAB mutations expressing cytochrome P450 genes.	Bioscience, biotechnology, and biochemistry 20090423