Scytophycin A

N-[(E,3R,4R,5S,9R,10S,11S)-6,10-dihydroxy-11-[(1S,3S,5S,7R,8S,12Z,14Z,17S,19R)-17-hydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-4-methoxy-3,5,9-trimethyldodec-1-enyl]-N-methylformamide

Also Known As: Scytophycin A|Scytophycin B, 27-deoxo-27-hydroxy-|N-[(E,3R,4R,5S,9R,10S,11S)-6,10-dihydroxy-11-[(1S,3S,5S,7R,8S,12Z,14Z,17S,19R)-17-hydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-4-methoxy-3,5,9-trimethyldodec-1-enyl]-N-methylformamide

Molecular Formula	C45H75NO12
Molecular Weight	821.52893 g/mol
LogP	5.1627
Topological Polar Surface Area	165.98 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	16
Exact Mass	821.52893
Monoisotopic Mass	821.52893
Heavy Atoms	58
Complexity	1364.5687

Chemical Identifiers

CAS Number	104653-87-4
SMILES	C[C@H]1[C@@H](C[C@@H](C2(CO2)[C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](C/C=C(\C=C/C(=O)OC1[C@@H](C)[C@H]([C@H](C)CCC([C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC)O)O)/C)O)OC)OC)OC