Home Other Building Blocks Cholesta-3,5-diene

Cholesta-3,5-diene

CAS No.:
747-90-0
Catalog Number:
AG005T6Y
Molecular Formula:
C27H44
Molecular Weight:
368.6383
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Product Description
Catalog Number:
AG005T6Y
Chemical Name:
Cholesta-3,5-diene
CAS Number:
747-90-0
Molecular Formula:
C27H44
Molecular Weight:
368.6383
MDL Number:
MFCD00009939
IUPAC Name:
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
InChI:
InChI=1S/C27H44/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/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
InChI Key:
RLHIRZFWJBOHHD-HKQCOZBKSA-N
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC=C2)C)C
EC Number:
212-021-4
NSC Number:
5193
Properties
Complexity:
595  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
368.344g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.649g/mol
Monoisotopic Mass:
368.344g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8  
Literature
Title Journal
Docosahexaenoic acid supplementation fully restores fertility and spermatogenesis in male delta-6 desaturase-null mice. Journal of lipid research 20100201
Investigations of cholesterol transformation during sewage treatment: relevance to estrogen formation pathways? The Science of the total environment 20011112
Properties