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2320-86-7 | Androsta-1,4-dien-3-one, 4,17-dihydroxy-17-methyl-, (17β)-
CAS No: 2320-86-7 Catalog No: AG002MI3 MDL No:
Product Description
Catalog Number:
AG002MI3
Chemical Name:
Androsta-1,4-dien-3-one, 4,17-dihydroxy-17-methyl-, (17β)-
CAS Number:
2320-86-7
IUPAC Name:
(8R,9S,10R,13S,14S,17S)-4,17-dihydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C20H28O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,22-23H,4-7,10-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1
InChI Key:
XMPHGFYWQPUCAG-XMUHMHRVSA-N
UNII:
LNS3MVH7NV
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
316.204g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.441g/mol
Monoisotopic Mass:
316.204g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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