Spectrum CCMSLIB00000851538 for NCGC00385837-01_C15H20O3_6-Hydroxy-5a-methyl-3,9-bis(methylene)decahydronaphtho[1,2-b]furan-2(3H)-one

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
28254-53-7
n/a
InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-13,16H,1-2,4-7H2,3H3
C15H20O3
248.1412445
O=C1OC2C(C1=C)CCC3(C)C(O)CCC(=C)C23
FKBUODICGDOIGB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
248.141
1
positive
G6_GG6_01_8190.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
4.181774502939817
0.9388074671359936
249.149
[M+H]+
0.8609306077827005 ppm
-2.1449999999845204E-4 Da