(+)-Tubocurarine chloride
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301828
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR301828 contains the MS2 mass spectrum of (+)-Tubocurarine chloride with the InChIkey JFJZZMVDLULRGK-URLMMPGGSA-N.
Source: (+)-Tubocurarine chloride
Chemical Info
InChI | InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/t28-,29+/m0/s1 |
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SMILES | COC1=C([O-])C2=C3[C@@H](CC4=CC(OC5=C(OC)C=C6CCN(C)[C@@H](CC7=CC=C(O2)C=C7)C6=C5)=C(O)C=C4)[N+](C)(C)CCC3=C1 |
InChI Key | JFJZZMVDLULRGK-URLMMPGGSA-N |
Molecular Formula | C37H40N2O6 |
Exact Mass | 608.735 g/mol |
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Additional Information
Field | Value |
---|---|
Data last updated | January 11, 2024 |
Metadata last updated | January 11, 2024 |
Created | January 11, 2024 |
Format | HTML |
License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
Id | 854a9f23-52a6-4a23-9b64-c2177af36711 |
Package id | msbnk-riken-pr301828 |
Resource type | HTML |
State | active |