Vobtusine

methyl (1R,1'R,7'S,11'R,12R,13'R,16S,17S,22R,24'R,25'S)-24'-hydroxy-19'-methoxyspiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate

CAS: 19772-79-3

Molecular Formula	`C43H50N4O6`
Molecular Weight	718.9 g/mol
LogP	4.0
Topological Polar Surface Area	96.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	3
Exact Mass	718.37305
Heavy Atoms	53
Complexity	1680.0

Chemical Identifiers

CAS Number	19772-79-3
SMILES	`COC1=CC=CC2=C1N3CC4(CC5C3(C26CCN7C6C8(C5)CCOC8CC7)O)CN9CCC12C9C3(C4OCC3)CC(=C1NC1=CC=CC=C21)C(=O)OC`
InChIKey	`IIMPGJMHQMBXKL-OPDPKHDKSA-N`

📖 Product Overview

Vobtusine (CAS: 19772-79-3) is a chemical compound with molecular formula C43H50N4O6 and molecular weight 718.9 g/mol. Its IUPAC systematic name is methyl (1R,1'R,7'S,11'R,12R,13'R,16S,17S,22R,24'R,25'S)-24'-hydroxy-19'-methoxyspiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate. LogP 4.0 Topological Polar Surface Area 96.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 10 Rotatable Bonds 3 Exact Mass 718.37305 Heavy Atoms 53 Complexity 1680.0 InChI Key: IIMPGJMHQMBXKL-OPDPKHDKSA-N. SMILES: COC1=CC=CC2=C1N3CC4(CC5C3(C26CCN7C6C8(C5)CCOC8CC7)O)CN9CCC12C9C3(C4OCC3)CC(=C1NC1=CC=CC=C21)C(=O)OC.

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