Yuzurimine

methyl 17-acetyloxy-18-(acetyloxymethyl)-19-hydroxy-14-methyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate

Also Known As: Macrodaphnidin|Yusurimin=Macrodaphnidin|4H-1,6-Methanopentaleno(1',6':2,3,4)cyclohept(1,2-g)indole-11-carboxylic acid, 5-(acetyloxy)-5a-((acetyloxy)methyl)-2,3,3a,5,5a,6,7,8,9,10,10a,11,12,12b-tetradecahydro-12b-hydroxy-3-methyl-, methyl ester, (1R-(1alpha,3beta,3abeta,5alpha,5abeta,6alpha,10abeta,11alpha,12aR*,12bbeta))-|Methyl 17-acetyloxy-18-(acetyloxymethyl)-19-hydroxy-14-methyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate|Methyl 5-(acetyloxy)-5a-[(acetyloxy)methyl]-12b-hydroxy-3-methyl-2,3,3a,5,5a,6,7,8,9,10,10a,11,12,12b-tetradecahydro-4H-1,6-methanocyclopenta[1,8]azuleno[4,3a-g]indole-11-carboxylate

Molecular Formula	C27H37NO7
Molecular Weight	487.257 g/mol
LogP	1.5
Topological Polar Surface Area	102.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	487.257
Monoisotopic Mass	487.257
Heavy Atoms	35
Complexity	1020.0

Chemical Identifiers

CAS Number	17819-76-0
SMILES	CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(C(CC1C62O)OC(=O)C)COC(=O)C)C(=O)OC
InChIKey	PCARXYHNISKVGD-UHFFFAOYSA-N