Dataset

(4AS,5S,8AS)-8ABETA-METHOXYMETHOXYMETHYL-5BETA-METHYL-5ALPHA-(3-OXOPROPYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE 1-ETHYLENE ACETAL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008013 contains the MS mass spectrum of (4AS,5S,8AS)-8ABETA-METHOXYMETHOXYMETHYL-5BETA-METHYL-5ALPHA-(3-OXOPROPYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE 1-ETHYLENE ACETAL with the InChIkey PHAHWBNBFFHHAV-OKZBNKHCSA-N.

Chemical Info

InChI	InChI=1S/C19H32O5/c1-17(8-5-11-20)7-4-9-18(14-22-15-21-2)16(17)6-3-10-19(18)23-12-13-24-19/h11,16H,3-10,12-15H2,1-2H3/t16-,17-,18+/m0/s1
SMILES	COCOCC(C1)(C(O3)(OCC3)2)C([H])(CCC2)C(C)(CCC=O)CC1
InChI Key	PHAHWBNBFFHHAV-OKZBNKHCSA-N
Molecular Formula	C19H32O5
Exact Mass	340.225 g/mol

Data and Resources

(4AS,5S,8AS)-8ABETA-METHOXYMETHOXYMETHYL-5BETA-...HTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP008013
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:56.868071
MetadataModified	2024-01-11T15:56:57.044201
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J261.015I	Nikkaji
13874368	PubChem
The data in this table is sourced from UniChem at EBI.