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13712-05-5 | 5α-Pregna-9(11),15-dien-20-one, 3β,17-dihydroxy-16-methyl-, 3-acetate (7CI,8CI)
CAS No: 13712-05-5 Catalog No: AG0012VB MDL No:
Product Description
Catalog Number:
AG0012VB
Chemical Name:
5α-Pregna-9(11),15-dien-20-one, 3β,17-dihydroxy-16-methyl-, 3-acetate (7CI,8CI)
CAS Number:
13712-05-5
IUPAC Name:
[(8S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,12,14-decahydrocyclopenta[a]phenanthren-3-yl] acetate
InChI:
InChI=1S/C24H34O4/c1-14-12-21-19-7-6-17-13-18(28-16(3)26)8-10-22(17,4)20(19)9-11-23(21,5)24(14,27)15(2)25/h9,12,17-19,21,27H,6-8,10-11,13H2,1-5H3/t17?,18?,19-,21+,22+,23+,24+/m1/s1
InChI Key:
HOUNHVMLNZVIGI-ALEICXNASA-N
Properties
Complexity:
780
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
386.246g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.532g/mol
Monoisotopic Mass:
386.246g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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