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; LC-ESI-QTOF; MS2; CE 10 ev; [M+Na]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00013 contains the MS2 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 Information

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

(19R)-9-acetyl-19-hydroxy-10,14-dimethyl-20-oxo...HTML

Go to source

Related Molecule ⌄

(6b-acetyl-13a-hydroxy-4a,6a-dimethyl-13-oxo-1,2,3,4,4b,5,6,7,8,9,10,10a,11,11a,11b,12-hexadecahydroindeno[2,1-a]phenanthren-2-yl) acetate

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-BML00013
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	(6b-acetyl-13a-hydroxy-4a,6a-dimethyl-13-oxo-1,2,3,4,4b,5,6,7,8,9,10,10a,11,11a,11b,12-hexadecahydroindeno[2,1-a]phenanthren-2-yl) acetate

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.