chempirical

(-)-Reserpine

C33H40N2O9CAS 50-55-5608.69 g/mol

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EsterTertiary Amine

Properties

Molecular formula
C33H40N2O9
Molar mass
608.69 g/mol
Exact mass
608.2734 Da
Melting point
264.5 °C
logP
4.17Crippen estimate
Polar surface area
117.8 Ų
H-bond donors / acceptors
1 / 10
Rotatable bonds
8

Identifiers

CAS number
50-55-5
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
InChIKey
QEVHRUUCFGRFIF-MDEJGZGSSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

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

Work with (-)-Reserpine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

PubChem CAS Common Chemistry NIST WebBook