200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 79812-85-4
79812-85-4 | Androst-5-en-3-one,17-hydroxy-4,4,17-trimethyl-, (17b)- (9CI)
CAS No: 79812-85-4 Catalog No: AG005H8F MDL No:
Product Description
Catalog Number:
AG005H8F
Chemical Name:
Androst-5-en-3-one,17-hydroxy-4,4,17-trimethyl-, (17b)- (9CI)
CAS Number:
79812-85-4
Molecular Formula:
C22H34O2
Molecular Weight:
330.5042
IUPAC Name:
(8R,9S,10R,13S,14S,17S)-17-hydroxy-4,4,10,13,17-pentamethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C22H34O2/c1-19(2)17-7-6-14-15(20(17,3)11-10-18(19)23)8-12-21(4)16(14)9-13-22(21,5)24/h7,14-16,24H,6,8-13H2,1-5H3/t14-,15+,16+,20-,21+,22+/m1/s1
InChI Key:
WSGNVOUHNLZNHQ-OFUYBIASSA-N
SMILES:
O=C1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@]2(C)O)C)C1(C)C)C
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
330.256g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.512g/mol
Monoisotopic Mass:
330.256g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.