AC1L5EU4 structure

AC1L5EU4

(3S,8S,9S,10R,13R,14S,17R)-N,N,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine

Also Known As: KST-1A2001|(3|A)-n,n-dimethylcholest-5-en-3-amine|(3S,8S,9S,10R,13R,14S,17R)-N,N,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine

CAS: 1729-65-3
Molecular Formula C29H51N
Molecular Weight 413.40216 g/mol
LogP 9.3
Topological Polar Surface Area 3.2 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
Rotatable Bonds 6
Exact Mass 413.40216
Monoisotopic Mass 413.40216
Heavy Atoms 30
Complexity 632.0

Chemical Identifiers

CAS Number 1729-65-3
SMILES C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)N(C)C)C)C
InChIKey WHZUCKVXGABTPN-AXYOXNHISA-N

Product Overview

AC1L5EU4 (CAS 1729-65-3), with molecular formula C29H51N and molecular weight 413.40216 g/mol. IUPAC: (3S,8S,9S,10R,13R,14S,17R)-N,N,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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