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6alpha-Methylprogesterone,6-alpha-Methylprogesterone ,6.alpha.-Methylp

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摘 要:6alpha-Methylprogesterone,6-alpha-Methylprogesterone ,6.alpha.-Methylprogesterone,NSC 75530,NSC75530,6-alpha-Methylpregn-3-ene-3,20-dione,6alpha-Methylpregn-4-ene-3,20-dione,(6alpha)-6-Methylpregn-4-ene-3,20-dione,Pregn-4-ene-3,20-dione, 6-alpha-meth
[Synonyms]
6alpha-Methylprogesterone
6-alpha-Methylprogesterone
6.alpha.-Methylprogesterone
NSC 75530
NSC75530
6-alpha-Methylpregn-3-ene-3,20-dione
6alpha-Methylpregn-4-ene-3,20-dione
(6alpha)-6-Methylpregn-4-ene-3,20-dione
Pregn-4-ene-3,20-dione, 6-alpha-methyl-
(6-alpha)-6-Methylpregn-4-ene-3,20-dione

[Structure]
6alpha-Methylprogesterone,6-alpha-Methylprogesterone ,6.alpha.-Methylp

[ Properties Computed from Structure]
Molecular Weight328.48828 [g/mol]
Molecular FormulaC22H32O2
XLogP4
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count1
Tautomer Count15
Exact Mass328.24023
MonoIsotopic Mass328.24023
Topological Polar Surface Area34.1
Heavy Atom Count24
Formal Charge0
Complexity618
Isotope Atom Count0
Defined Atom StereoCenter Count7
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (6S,8S,9S,10R,13S,14S,17S)-17-acetyl-6,10,13-trimethyl-1,2,6,7,8,9,11,
12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES: CC1CC2C3CCC(C3(CCC2C4(C1=CC(=O)CC4)C)C)C(=O)C
Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)CC4)C)C)C(=
O)C
InChI: InChI=1/C22H32O2/c1-13-11-16-18-6-5-17(14(2)23)21(18,
3)10-8-19(16)22(4)9-7-15(24)12-20(13)22/h12-13,16-19H,5-11H2,1-4H3/t13-,
16-,17+,18-,19-,21+,22+/m0/s1

 
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