Deserpideine

methyl (1R,17R,18R,19S,20R)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,17,18,19,20,21-decahydroyohimban-19-carboxylate

Also Known As: Deserpideine|Indole alkaloid|DESERPIDEIN|J2.388.085G|methyl methoxy-(3,4,5-trimethoxybenzoyl)oxy-[?]carboxylate|methyl (1R,17R,18R,19S,20R)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,17,18,19,20,21-decahydroyohimban-19-carboxylate|Yohimban-16-carboxylic acid, 19,20-didehydro-17-methoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta)-|YOHIMBAN-16-CARBOXYLIC ACID, 19,20-DIDEHYDRO-17-METHOXY-18-((3,4,5-TRIMETHOXYBENZOYL)OXY)-, METHYL ESTER, (3.BETA.,16.BETA.,17.ALPHA.,18.BETA.)-|(1S,2R,3R,13bR,14aR)-2-methoxy-3-(3,4,5-trimethoxybenzoyl)oxy-1,2,3,5,7,8,13,13b,14,14a-decahydroisoquinolino[3,2-a]$b-carboline-1-carboxylic acid methyl ester|(3beta)-19,20-Didehydro-17alpha-methoxy-18beta-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16beta-carboxylic acid methyl ester|methyl (1R,17R,18R,19S,20R)-18-methoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaene-19-carboxylate|Methyl 17alpha-methoxy-18beta-[(3,4,5-trimethoxybenzoyl)oxy]-3beta-19,20-didehydroyohimban-16beta-carboxylate|Yohimban-16-carboxylic acid, 19,20-didehydro-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.)-

Molecular Formula	C32H36N2O8
Molecular Weight	576.2472 g/mol
LogP	3.2
Topological Polar Surface Area	109.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	9
Exact Mass	576.2472
Monoisotopic Mass	576.2472
Heavy Atoms	42
Complexity	1010.0

Chemical Identifiers

CAS Number	2671-59-2
SMILES	CO[C@H]1[C@@H](C=C2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
InChIKey	RDGOSTXDEPKFIL-NPWMLVFOSA-N