Name: Name:(16α)-16,17-[Butylidenebis(oxy)]-21-hydroxypregna-1,4-diene-3,11,20-trione
Brand: Angene
SKU: AG00C2IL
Rating: 90 (10 reviews)

(16α)-16,17-[Butylidenebis(oxy)]-21-hydroxypregna-1,4-diene-3,11,20-trione

CAS No.:

216453-74-6

Catalog Number:

AG00C2IL

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00C2IL

Chemical Name:

(16α)-16,17-[Butylidenebis(oxy)]-21-hydroxypregna-1,4-diene-3,11,20-trione

CAS Number:

216453-74-6

MDL Number:

MFCD30738207

IUPAC Name:

(1S,2S,4R,8S,9S,12S,13R)-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-11,16-dione

InChI:

InChI=1S/C25H32O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-17,20-22,26H,4-7,11-13H2,1-3H3/t16-,17-,20+,21?,22+,23-,24-,25+/m0/s1

InChI Key:

NTERSHSWHLAIHV-ADKFLVHOSA-N

Complexity:

904

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

428.22g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

428.525g/mol

Monoisotopic Mass:

428.22g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3