200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 848-62-4
848-62-4 | Pregnan-20-one, (5a)-
CAS No: 848-62-4 Catalog No: AG004WBT MDL No:
Product Description
Catalog Number:
AG004WBT
Chemical Name:
Pregnan-20-one, (5a)-
CAS Number:
848-62-4
Molecular Formula:
C21H34O
Molecular Weight:
302.4941
IUPAC Name:
1-[(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
InChI:
InChI=1S/C21H34O/c1-14(22)17-9-10-18-16-8-7-15-6-4-5-12-20(15,2)19(16)11-13-21(17,18)3/h15-19H,4-13H2,1-3H3/t15-,16+,17-,18+,19+,20+,21-/m1/s1
InChI Key:
RSRDWHPVTMQUGZ-QYYVTAPASA-N
SMILES:
CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CCCC2
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
302.261g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.502g/mol
Monoisotopic Mass:
302.261g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.