Dataset

(S,S)-(+)-Tetrandrine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80095 contains the MS mass spectrum of (S,S)-(+)-Tetrandrine with the InChIkey WVTKBKWTSCPRNU-KYJUHHDHSA-N.

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	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
InChI Key	WVTKBKWTSCPRNU-KYJUHHDHSA-N
Molecular Formula	C38H42N2O6
Exact Mass	622.304 g/mol

Data and Resources

(S,S)-(+)-TetrandrineHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80095
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:22:57.453600
MetadataModified	2025-02-09T20:06:06.920098
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
LSM-6539	LINCS
29EX23D5AJ	FDA SRS
PD001239	ProbesDrugs
60063482	NMRShiftDB
23495-89-8	ACToR
14814177	PubChem: Thomson Pharma
Tetrandrine-Fanchinine	Selleck
518-34-3	ACToR
29541250	eMolecules
501337	eMolecules
DTXSID70881383	EPA CompTox Dashboard
CB9855050	ChemicalBook
MTBLC49	Metabolights
25834	Brenda
DB14066	DrugBank
SCHEMBL20119	SureChEMBL
73078	PubChem
MCULE-2548279289	Mcule
VS4W77H3SD	FDA SRS
50478473	BindingDB
TETRIN	CCDC
J130.138A	Nikkaji
HY-13764	MedChemExpress
DTXSID10178062	EPA CompTox Dashboard
49	ChEBI
ZINC000028116057	ZINC
C09654	KEGG Ligand
CHEMBL176045	ChEMBL
12013069	PubChem: Drugs of the Future
The data in this table is sourced from UniChem at EBI.