CAS 15910-23-3 | Cholest-2-ene | CAS Number 15910-23-3

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15910-23-3 | Cholest-2-ene

CAS No: 15910-23-3 Catalog No: AG001QH3 MDL No:

Product Description

Catalog Number:

AG001QH3

Chemical Name:

Cholest-2-ene

CAS Number:

15910-23-3

Molecular Formula:

C27H46

Molecular Weight:

370.6541

IUPAC Name:

(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-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/h6-7,19-25H,8-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1

InChI Key:

UTGYMZAUDAYPOM-LDHZKLTISA-N

SMILES:

CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CC=CC2)C)C

Properties

Complexity:

544

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:

10.3

Literature

Title	Journal
Cytogenetic and antineoplastic effects by newly synthesised steroidal alkylators in lymphocytic leukaemia P388 cells in vivo.	Mutation research 20120704
Synergistic cytogenetic and antineoplastic effects by the combined action of esteric steroidal derivatives of nitrogen mustards.	Genetic testing and molecular biomarkers 20120601
Autocrine BMP4 signaling involves effect of cholesterol myristate on proliferation of mesenchymal stem cells.	Steroids 20090101
Mineralogy and chemistry of urinary stones: patients from North Jordan.	Environmental geochemistry and health 20081001
An effect of bulk on the ratio of fragmentation to stereomutation in three cyclobutane dimers of 3-methylenecholest-4-ene.	Journal of the American Chemical Society 20071114
Establishment of mass spectrometric fingerprints of novel synthetic cholesteryl neoglycolipids: the presence of a unique C-glycoside species during electrospray ionization and during collision-induced dissociation tandem mass spectrometry.	Journal of the American Society for Mass Spectrometry 20070201
New cytotoxic steroids from the Indian Ocean sponge Axinella cf. bidderi.	Journal of natural products 20040301
Changes in lipids and sterols during composting.	Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20010901