syrosingopine

methyl (1R,15S,17R,18R,19S,20S)-17-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

CAS: 84-36-6

Molecular Formula	`C35H42N2O11`
Molecular Weight	666.7 g/mol
LogP	4.6
Topological Polar Surface Area	144.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	12
Rotatable Bonds	13
Exact Mass	666.2789
Heavy Atoms	48
Complexity	1130.0

Chemical Identifiers

CAS Number	84-36-6
SMILES	`CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)OC2CC3CN4CCC5=C(C4CC3C(C2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC`
InChIKey	`ZCDNRPPFBQDQHR-SSYATKPKSA-N`

📖 Product Overview

syrosingopine (CAS: 84-36-6) is a chemical compound with molecular formula C35H42N2O11 and molecular weight 666.7 g/mol. Its IUPAC systematic name is methyl (1R,15S,17R,18R,19S,20S)-17-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate. LogP 4.6 Topological Polar Surface Area 144.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 12 Rotatable Bonds 13 Exact Mass 666.2789 Heavy Atoms 48 Complexity 1130.0 InChI Key: ZCDNRPPFBQDQHR-SSYATKPKSA-N. SMILES: CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)OC2CC3CN4CCC5=C(C4CC3C(C2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC.

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