Kansuinin A

[(1R,2R,4S,5S,6R,7R,9S,10S,11S,13R,15S)-2,5,7,9,11-pentaacetyloxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.02,6]hexadecan-10-yl] benzoate

Also Known As: Kansuinin A|Kansuinine A|[(1R,2R,4S,5S,6R,7R,9S,10S,11S,13R,15S)-2,5,7,9,11-Pentaacetyloxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.02,6]hexadecan-10-yl] benzoate|(1R,2R,4S,5S,6R,7R,9S,10S,11S,13R,15S)-2,5,7,9,11-PENTAKIS(ACETYLOXY)-1-HYDROXY-4,12,12,15-TETRAMETHYL-8-METHYLIDENE-14-OXO-16-OXATRICYCLO[11.2.1.0(2),?]HEXADECAN-10-YL BENZOATE|(1S,2S,3aR,4R,5S,7R,9S,10S,11S,13R,13aR)-1,3a,9,11,13-Pentakis(acetyloxy)-4-hydroxy-2,5,8,8-tetramethyl-12-methylidene-6-oxotetradecahydro-1H-4,7-epoxycyclopenta[12]annulen-10-yl benzoate|1,3a,9,11,13-Pentakis(acetyloxy)-4-hydroxy-2,5,8,8-tetramethyl-12-methylidene-6-oxotetradecahydro-1H-4,7-epoxycyclopenta[12]annulen-10-yl benzoate

Molecular Formula	C37H46O15
Molecular Weight	730.2837 g/mol
LogP	2.9
Topological Polar Surface Area	204.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	15
Rotatable Bonds	13
Exact Mass	730.2837
Monoisotopic Mass	730.2837
Heavy Atoms	52
Complexity	1480.0

Chemical Identifiers

CAS Number	57701-86-7
SMILES	C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C)[C@H](C(=C)[C@@H]([C@H]([C@H](C([C@@H]3C(=O)[C@@H]([C@]2(O3)O)C)(C)C)OC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C
InChIKey	VKHCUWUNVKZFBM-ADCMAJNMSA-N