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1247-67-2 | Androst-16-ene-3,17-diol, diacetate, (3β,5α)- (9CI)
CAS No: 1247-67-2 Catalog No: AG000MN1 MDL No:
Product Description
Catalog Number:
AG000MN1
Chemical Name:
Androst-16-ene-3,17-diol, diacetate, (3β,5α)- (9CI)
CAS Number:
1247-67-2
Molecular Formula:
C23H34O4
Molecular Weight:
374.5137
IUPAC Name:
(17-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
InChI:
InChI=1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h8,16-20H,5-7,9-13H2,1-4H3
InChI Key:
GDNCPMQDMBBSRP-UHFFFAOYSA-N
SMILES:
CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2OC(=O)C)C)C
NSC Number:
134943
Properties
Complexity:
667
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.246g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.521g/mol
Monoisotopic Mass:
374.246g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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