chempirical

(+)-Cepharanthine

C37H38N2O6CAS 481-49-2606.72 g/mol

Open in Covalent MOL file
OOOONOON
Tertiary Amine

Properties

Molecular formula
C37H38N2O6
Molar mass
606.72 g/mol
Exact mass
606.2730 Da
Melting point
140–145 °C
logP
6.87Crippen estimate
Polar surface area
61.9 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
2

Identifiers

CAS number
481-49-2
SMILES
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C
InChIKey
YVPXVXANRNDGTA-WDYNHAJCSA-N
InChI
InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • 1H-4,6:16,19-Dietheno-21,25-metheno-12H-[1,3]dioxolo[4,5-g]pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline, 2,3,13,14,14a,15,26,26a-octahydro-22,30-dimethoxy-1,14-dimethyl-, (14aS,26aR)-
  • Cepharanthine
  • Oxyacanthan, 6′,12′-dimethoxy-2,2′-dimethyl-6,7-[methylenebis(oxy)]-
  • (14aS,26aR)-2,3,13,14,14a,15,26,26a-Octahydro-22,30-dimethoxy-1,14-dimethyl-1H-4,6:16,19-dietheno-21,25-metheno-12H-[1,3]dioxolo[4,5-g]pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline
  • O-Methylcepharanoline
  • Cepharanthin
  • 1H-4,6:16,19-Dietheno-21,25-metheno-12H-[1,3]dioxolo[4,5-g]pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline, 2,3,13,14,14a,15,26,26a-octahydro-22,30-dimethoxy-1,14-dimethyl-, [14aS-(14aR*,26aS*)]-
  • Cepharantin
  • NSC 623442
  • SML 1269

Work with (+)-Cepharanthine

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

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