Spectrum CCMSLIB00000852877 for NCGC00385273-01_C15H20O3_Naphtho[1,2-b]furan-2(3H)-one, decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-, (3aS,5aR,6R,9aS,9bS)-

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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
n/a
28254-53-7
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/t10-,11+,12+,13-,15-/m0/s1
C15H20O3
248.1412445
O=C1OC2C(C1=C)CCC3(C)C(O)CCC(=C)C23
FKBUODICGDOIGB-PFFFPCNUSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
248.141
1
positive
A10_GA10_01_8060.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.9888993655501035
0.8864595744684768
231.137
[M-H2O+H]+
13.522283321190923 ppm
0.0031255000000101063 Da