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ALPHA-CORTOL

CAS No.:
516-38-1
Catalog Number:
AG00DBP0
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DBP0
Chemical Name:
ALPHA-CORTOL
CAS Number:
516-38-1
MDL Number:
MFCD00056511
IUPAC Name:
(3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
InChI:
InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1
InChI Key:
FFPUNPBUZDTHJI-XPOJVAQCSA-N
UNII:
5IHL40EHNB
NSC Number:
60459
Properties
Complexity:
555  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
368.256g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
368.514g/mol
Monoisotopic Mass:
368.256g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Endogenous urinary steroids in premenopausal women with uterine leiomyomas. International journal of gynaecology and obstetrics: the official organ of the International Federation of Gynaecology and Obstetrics 20040101
Properties