Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C27H40O8/c1-15(28)32-14-27-13-24(34-17(3)30)23(33-16(2)29)12-19(27)6-7-20-21-8-9-25(35-18(4)31)26(21,5)11-10-22(20)27/h19-25H,6-14H2,1-5H3/t19-,20-,21-,22-,23+,24+,25-,26-,27+/m0/s1
SMILES	CC(=O)OC[C@]12C[C@@H](OC(=O)C)[C@@H](C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC(=O)C)C)OC(=O)C
InChI Key	CSMKROZAGQDXRJ-PDKVRDFNSA-N
Molecular Formula	C27H40O8
Exact Mass	492.602 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CSMKROZAGQDXRJ-PDKVRDFNSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/CSMKROZAGQDXRJ-PDKVRDFNSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:13:42.283881
MetadataModified	2024-09-07T15:17:48.351847
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453478	PubChem
The data in this table is sourced from UniChem at EBI.