Dataset

(19R)-9-acetyl-19-hydroxy-10,14-dimethyl-20-oxopentacyclo[11.8.0.0<2,10>.0<4,9 >.0<14,19>]henicos-17-yl acetate

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80062 contains the MS mass spectrum of (19R)-9-acetyl-19-hydroxy-10,14-dimethyl-20-oxopentacyclo[11.8.0.0.0.0]henicos-17-yl acetate with the InChIkey DMAXEADUOQCSHM-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C27H40O5/c1-16(28)26-10-6-5-7-18(26)13-22-20-14-23(30)27(31)15-19(32-17(2)29)8-11-25(27,4)21(20)9-12-24(22,26)3/h18-22,31H,5-15H2,1-4H3
SMILES	CC(=O)C12CCCCC1CC3C2(CCC4C3CC(=O)C5(C4(CCC(C5)OC(=O)C)C)O)C
InChI Key	DMAXEADUOQCSHM-UHFFFAOYSA-N
Molecular Formula	C27H40O5
Exact Mass	444.288 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80062
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:25:52.473980
MetadataModified	2024-01-11T22:25:52.640777
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
4008455	PubChem
The data in this table is sourced from UniChem at EBI.