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MK 386

CAT: 0926-IGA49317-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-IGA49317-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
158493-17-5
Smiles
CC1CC2C (CCC (=O) N2C) (C3C1C4CCC (C4 (CC3) C) C (C) CCCC (C) C) C
Molecular Formula
C28H49NO
Molecular Weight
415.7 g/mol
Controlled
No

Chemical Information

4,7beta-Dimethyl-4-azacholestan-3-one
CAS Number158493-17-5
PubChem CID9888107
IUPAC Name(1R,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,6,9a,11a-tetramethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
Molecular FormulaC28H49NO
Molecular Weight415.7
XLogP8.6
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity643
SMILES
C[C@H]1C[C@@H]2[C@](CCC(=O)N2C)([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)[C@H](C)CCCC(C)C)C
InChI
InChI=1S/C28H49NO/c1-18(2)9-8-10-19(3)21-11-12-22-26-20(4)17-24-28(6,16-14-25(30)29(24)7)23(26)13-15-27(21,22)5/h18-24,26H,8-17H2,1-7H3/t19-,20+,21-,22+,23+,24-,26+,27-,28-/m1/s1
InChIKey
XUTZDXHKQDPUMA-MVJJLJOTSA-N
Chemical Structure
2D Structure
2D structure of 4,7beta-Dimethyl-4-azacholestan-3-one
CAS: 158493-17-5
CID: 9888107
Formula: C28H49NO
MW: 415.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.7
XLogP38.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass415.381415187
Monoisotopic Mass415.381415187
Topological Polar Surface Area20.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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