Name: Name:Cholest-4-ene, 3-chloro-, (3α)-
Brand: Angene
SKU: AG001A14
Rating: 90 (10 reviews)

Cholest-4-ene, 3-chloro-, (3α)-

CAS No.:

13901-10-5

Catalog Number:

AG001A14

Molecular Formula:

C27H45Cl

Molecular Weight:

405.0992

Catalog Number:

AG001A14

Chemical Name:

Cholest-4-ene, 3-chloro-, (3α)-

CAS Number:

13901-10-5

Molecular Formula:

C27H45Cl

Molecular Weight:

405.0992

MDL Number:

MFCD23843785

IUPAC Name:

(3R,8S,9S,10R,13R,14S,17R)-3-chloro-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/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,21-25H,6-16H2,1-5H3/t19-,21-,22+,23-,24+,25+,26+,27-/m1/s1

InChI Key:

QKOWLIHHJYBRRJ-VEIPTCAHSA-N

SMILES:

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

Complexity:

591

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

404.321g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

405.107g/mol

Monoisotopic Mass:

404.321g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

9.9