1.0 2026-09-21 23:14:59 UTC 2026-09-21 23:14:59 UTC FDB117260 reserpine methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate C33H40N2O9 608.6787 608.273380888 methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4(9),5,7-tetraene-19-carboxylate reserpine [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 QEVHRUUCFGRFIF-MDEJGZGSSA-N belongs to the class of organic compounds known as yohimbine alkaloids. These are alkaloids containing the pentacyclic yohimban skeleton. The Yohimbinoid alkaloids contain a carbocyclic ring E arising through C-17 to C-18 bond formation in a corynantheine precursor. Yohimbine alkaloids Organic compounds Alkaloids and derivatives Yohimbine alkaloids Aromatic heteropolycyclic compounds 3-alkylindoles Alkyl aryl ethers Amino acids and derivatives Anisoles Aralkylamines Azacyclic compounds Benzoic acid esters Benzoyl derivatives Beta carbolines Carbonyl compounds Corynanthean-type alkaloids Dialkyl ethers Dicarboxylic acids and derivatives Gallic acid and derivatives Heteroaromatic compounds Hydrocarbon derivatives M-methoxybenzoic acids and derivatives Methoxybenzenes Methyl esters Organic oxides Organopnictogen compounds P-methoxybenzoic acids and derivatives Phenoxy compounds Piperidines Pyrroles Trialkylamines 3-alkylindole Alkyl aryl ether Amine Amino acid or derivatives Anisole Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Beta-carboline Carbonyl group Carboxylic acid derivative Carboxylic acid ester Corynanthean skeleton Dialkyl ether Dicarboxylic acid or derivatives Ether Gallic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives M-methoxybenzoic acid or derivatives Methoxybenzene Methyl ester Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound P-methoxybenzoic acid or derivatives Phenol ether Phenoxy compound Piperidine Pyridoindole Pyrrole Tertiary aliphatic amine Tertiary amine Yohimbine Yohimbine alkaloid Alkaloids Indole alkaloids alkaloid ester yohimban alkaloid logp 4.05 ALOGPS logs -4.73 ALOGPS solubility 1.13e-02 g/l ALOGPS logp 3.53 ChemAxon pka_strongest_acidic 16.29 ChemAxon pka_strongest_basic 7.56 ChemAxon iupac methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4(9),5,7-tetraene-19-carboxylate ChemAxon average_mass 608.6787 ChemAxon mono_mass 608.273380888 ChemAxon smiles [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 ChemAxon formula C33H40N2O9 ChemAxon inchi InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 ChemAxon inchikey QEVHRUUCFGRFIF-MDEJGZGSSA-N ChemAxon polar_surface_area 117.78 ChemAxon refractivity 161.42 ChemAxon polarizability 66.05 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 8 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1154 Specdb::CMs 26595 Specdb::CMs 27584 Specdb::CMs 100080 Specdb::MsMs 66315 Specdb::MsMs 66316 Specdb::MsMs 66317 Specdb::MsMs 123843 Specdb::MsMs 123844 Specdb::MsMs 123845 Specdb::MsMs 439564 Specdb::MsMs 439565 Specdb::MsMs 439566 Specdb::MsMs 439567 Specdb::MsMs 442673 Specdb::MsMs 442674 Specdb::MsMs 442675 Specdb::MsMs 442676 Specdb::MsMs 442677 Specdb::MsMs 442678 Specdb::MsMs 442679 Specdb::MsMs 442680 Specdb::MsMs 442681 Specdb::MsMs 442682 Specdb::MsMs 442683 Specdb::MsMs 442684 Specdb::MsMs 442685 Specdb::MsMs 442686 Specdb::MsMs 445114