Back to Search

(-)-Reserpine

CAS: 50-55-5 | C33H40N2O9

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 50-55-5
Molecular Formula: C33H40N2O9
Molecular Weight: 608.6880000000004 g/mol

Names and Synonyms:

(-)-Reserpine
NSC 59272
NSC 237659
Serpasil Serpasol
(-)-Reserpine
11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester
Deserpine
Hiposerpil
Carpacil
Serpine
Serpasol
Apoplon
Rauwasedin
Triserpin
Reserpil
Resercaps
Serp-AFD
Temposerpine
Serpipur
Sedserp
Reserlor
Raunervil
Serpasil premix
ENT 50146
Serpine (pharmaceutical)
Raupasil
Vio-Serpine
3,4,5-Trimethoxybenzoyl methyl reserpate
Sertina
Sertabs
Serpiloid
Serpicon
Serpentina
Serpen
Serpate
Serpasil
Serpanray
Serpaloid
T-Serp
Serolfia
Serfin
Sedaraupin
Sandril
Roxinoid
Rivasin
Riserpa
Restran
Respital
Resine
Reserpoid
Reserpine
Reserpex
Reserpamed
Resercen
Rausingle
Rausedyl
Rausedil
Rau-sed
Raurine
Raulen
Raucap
Quiescin
Methyl reserpate 3,4,5-trimethoxybenzoate (ester)
Reserpic acid methyl ester 3,4,5-trimethoxybenzoate (ester)
Mayserpine
Loweserp
Lemiserp
Kitine
Eskaserp
Eserpine
Elserpine
Crystoserpine
Bioserpine
Banasil
Anquil
Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.
3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-11,17α-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate
3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-11,17α-dimethoxy- methyl ester 3,4,5-trimethoxybenzoate (ester)
Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-

Identifiers:

SMILES:
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
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

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 608.6880000000004 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 608.27338086 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 44 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 10 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 8 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 3 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 117.78000000000003 Ų RDKit

Physical Properties

Property Value Source
LogP 4.171100000000004 RDKit
molecular_mass 608.69 g/mol Legacy Database
cas-canonical-smile O=C(OC1CC2CN3CCC=4C=5C=CC(OC)=CC5NC4C3CC2C(C(=O)OC)C1OC)C6=CC(OC)=C(OC)C(OC)=C6 None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=QEVHRUUCFGRFIF-MDEJGZGSSA-N None Legacy Database
cas-melting-point 264.5 °C None Legacy Database
cas-name (-)-Reserpine None Legacy Database

Molar

Property Value Source
Molar Refractivity 160.68719999999962 RDKit

Recent Searches

Acetone
Ethanol
Navigate
esc Close