Carpaine

Carpaine

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Catalog Number ACM3463921
CAS Number 3463-92-1
Structure
Synonyms (1S,11R,13S,14S,24R,26S)-13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione
Molecular Weight 478.7
InChI InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3/t21-,22-,23+,24+,25-,26-/m0/s1
InChI Key AMSCMASJCYVAIF-QCVMBYIASA-N
Melting Point 119-120 °C
Purity 95%+
Complexity 561
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 6
Exact Mass 478.37705808
Heavy Atom Count 34
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
Isomeric SMILES C[C@H]1[C@@H]2CC[C@H](N1)CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O2)N[C@H]3C
Monoisotopic Mass 478.37705808
PhysicalState Powder
Rotatable Bond Count 0
Topological Polar Surface Area 76.7 Ų

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