Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C40H38O14/c1-19-15-25(47-3)33-23(41)17-39(37(45)49-5,27-11-13-29(43)51-27)53-35(33)31(19)21-7-9-22(10-8-21)32-20(2)16-26(48-4)34-24(42)18-40(38(46)50-6,54-36(32)34)28-12-14-30(44)52-28/h7-10,15-16,27-28H,11-14,17-18H2,1-6H3/t27-,28-,39-,40-/m1/s1
SMILES	COC(=O)[C@@]1(CC(=O)c2c(O1)c(c1ccc(cc1)c1c(C)cc(c3c1O[C@@](CC3=O)(C(=O)OC)[C@H]1CCC(=O)O1)OC)c(cc2OC)C)[C@H]1CCC(=O)O1
InChI Key	GJHDFYJJGQONBL-HHGWJHHPSA-N
Molecular Formula	C40H38O14
Exact Mass	742.721 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GJHDFYJJGQONBL-HHGWJHHPSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/GJHDFYJJGQONBL-HHGWJHHPSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:22:37.643539
MetadataModified	2024-09-07T15:30:57.039952
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453617	PubChem
The data in this table is sourced from UniChem at EBI.