Rutaevin

(1R,2R,7S,10R,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,11,17-trione

Also Known As: Rutaevin|Rutaevine|Evodinone|Ambap33237-37-5|NP7142|Piperidine-1-carboximidamide Hydrobromide|SID:440745123|(1R,2R,7S,10R,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,11,17-trione|7-Deoxo-7beta-hydroxy-6-oxolimonoic acid 3,19:16,17-dilactone|(1R,2R,7S,10R,12R,13S,14R,16S,19S,20S)-19-(3-furyl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,11,17-trione|(1R,2R,7S,10R,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo(11.9.0.02,7.02,10.014,16.014,20)docosane-5,11,17-trione|(1S,7R,7aS)-1-[(1R)-2-carboxy-1-methyl-ethyl]-5-[[(1S,4S)-2,2-dimethyl-7-oxabicyclo[2.2.1]heptan-4-yl]methyl]-7-hydroxy-1,7a-dimethyl-6,7-dihydro-2H-indene-4-carboxylic acid|(4aS,6aR,8R,8aS,8bR,9aS,12S,12aS,14aR,14bR)-12-(Furan-3-yl)-8-hydroxy-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[c]pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[1,2-d]pyran-3,7,10(8H,9aH)-trione|12-(Furan-3-yl)-8-hydroxy-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[c]pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[1,2-d]pyran-3,7,10(8H,9aH)-trionato

Molecular Formula	C26H30O9
Molecular Weight	486.189 g/mol
LogP	1.3
Topological Polar Surface Area	125.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	1
Exact Mass	486.189
Monoisotopic Mass	486.189
Heavy Atoms	35
Complexity	1040.0

Chemical Identifiers

CAS Number	33237-37-5
SMILES	C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)([C@H](C(=O)[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)O)C
InChIKey	YZMKFMIZNSOPSN-XGTMLCIVSA-N