200,000+ products from a single source!
sales@angenechem.com
17975-91-6 | Pregn-5-en-20-one, 3β,17-dihydroxy-16β-iodo- (7CI,8CI)
CAS No: 17975-91-6 Catalog No: AG00278U MDL No:
Product Description
Catalog Number:
AG00278U
Chemical Name:
Pregn-5-en-20-one, 3β,17-dihydroxy-16β-iodo- (7CI,8CI)
CAS Number:
17975-91-6
Molecular Formula:
C21H31IO3
Molecular Weight:
458.3735
IUPAC Name:
1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-16-iodo-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
InChI:
InChI=1S/C21H31IO3/c1-12(23)21(25)18(22)11-17-15-5-4-13-10-14(24)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,24-25H,5-11H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-,21+/m0/s1
InChI Key:
ZTVMVESCHJHODJ-OCHQKFOUSA-N
SMILES:
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@@H]([C@]2(O)C(=O)C)I)C)C1)C
NSC Number:
45883
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
458.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
458.38g/mol
Monoisotopic Mass:
458.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.