chempirical

Deserpidine

C32H38N2O8CAS 131-01-1578.66 g/mol

Open in Covalent MOL file
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EsterEtherTertiary amine

Properties

Molecular formula
C32H38N2O8
Molar mass
578.66 g/mol
Exact mass
578.2628 Da
Melting point
230.5 °C
logP
4.16Crippen estimate
Polar surface area
108.5 Ų
H-bond donors / acceptors
1 / 9
Rotatable bonds
7
Stereocentres
S, S, R, S, R, Rin SMILES atom order

Identifiers

CAS number
131-01-1
SMILES
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
InChIKey
CVBMAZKKCSYWQR-WCGOZPBSSA-N
InChI
InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1

Weigh it out

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

Names and synonyms

19 names · show all
  • Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-
  • 3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-17α-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)
  • Deserpidic acid, methyl ester, 3,4,5-trimethoxybenzoate
  • Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.
  • Canescine
  • 11-Desmethoxyreserpine
  • Harmonyl
  • Raunormine
  • Recanescine
  • Reserpidine
  • 11-Demethoxyreserpine
  • Deserpidin
  • Recanescin
  • Raunormin
  • Canescin
  • Deserpic acid, methyl ester, 3,4,5-trimethoxybenzoate
  • NSC 72138
  • Canescine (rauwolfia)
  • (-)-Deserpidine

Work with Deserpidine

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

Similar compounds

(-)-Reserpine50-55-585 % similar Syrosingopine84-36-672 % similar Yohimbine146-48-557 % similar Rauwolscine hydrochloride6211-32-155 % similar Yohimbine hydrochloride65-19-055 % similar Ajmalicine483-04-542 % similar Tetrahydroalstonine6474-90-442 % similar Hirsuteine35467-43-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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