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BQTML-CB.cosy

URL: https://nmrxiv.org/D3266

Dataset description:

This dataset contains NMR spectra obtained for the sample -BQTML-CB date: 2023-12-13T19:04:39.000Z isFt: true name: BQTML-CB/0 phc0: -94.66 phc1: 0 type: NMR Spectrum DECIM: 584 aqMod: 3...

Source: BQTML-CB.cosy

Chemical Info

molecular Image

InChI	InChI=1S/C43H53NO8/c1-24-14-12-18-31(45)20-21-34(46)52-43-32(19-13-15-24)40(28(5)25(2)36(43)33(44-41(43)50)22-30-16-10-9-11-17-30)51-35(47)23-42(7,8)37-29(6)38(48)26(3)27(4)39(37)49/h9-11,13,16-17,19-21,24-25,31-33,36,40,45H,5,12,14-15,18,22-23H2,1-4,6-8H3,(H,44,50)/b19-13+,21-20+/t24-,25-,31-,32+,33+,36+,40-,43-/m1/s1
SMILES	C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1OC(=O)CC(C)(C)C1=C(C)C(=O)C(C)=C(C)C1=O
InChI Key	JDXFGTMDXHOOAO-AAXCDQIOSA-N

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Additional Information

Field	Value
Data last updated	February 3, 2025
Metadata last updated	February 3, 2025
Created	February 3, 2025
Format	HTML
License	Attribution-NonCommercial-NoDerivs 4.0 International
Id	965daa71-587e-43c1-be15-64995d122f3f
Package id	nmrxiv-d3266
Resource type	HTML
State	active