Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C39H45NO7/c1-39(2,3)47-38(41)40-34-36(44-26-31-20-12-6-13-21-31)35(43-25-30-18-10-5-11-19-30)33(28-42-24-29-16-8-4-9-17-29)46-37(34)45-27-32-22-14-7-15-23-32/h4-23,33-37H,24-28H2,1-3H3,(H,40,41)/t33-,34-,35-,36-,37?/m1/s1
SMILES	O=C(OC(C)(C)C)N[C@H]1C(OCc2ccccc2)O[C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)COCc1ccccc1
InChI Key	OLEMKOKVXHTHBC-VXERKMLKSA-N
Molecular Formula	C39H45NO7
Exact Mass	639.777 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/OLEMKOKVXHTHBC-VXERKMLKSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/OLEMKOKVXHTHBC-VXERKMLKSA-N/NMR/1H/CDCl3/400
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:24:17.728933
MetadataModified	2024-09-07T12:32:46.308069
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
124390502	PubChem: Thomson Pharma
53254763	PubChem
The data in this table is sourced from UniChem at EBI.