(+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data.
URL: https://nmrxiv.org/D1058
Dataset description:
NMR data of (+)-tetrandrine in DMSOd6. The dataset contains 1D 1H 13C as well as 2D COSY, HSQC, HMBC, all acquired at 400MHz (Jeol 400 MHz spectrometer with Royal Probe) in addition the...
Source: (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data.
Chemical Info
InChI
InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1
SMILES
COC1=C2C=C(C=C1)C[C@H]1C3=C(OC4=C(OC)C=C5CCN(C)[C@@H](CC6=CC=C(C=C6)O2)C5=C4)C(OC)=C(OC)C=C3CCN1C
InChI Key
WVTKBKWTSCPRNU-KYJUHHDHSA-N
Molecular Formula
C38H42N2O6
Exact Mass
622.700 g/mol
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