Spectrum CCMSLIB00000854505 for NCGC00385219-01_C17H20O4_3,6,9-Tris(methylene)-2-oxododecahydroazuleno[4,5-b]furan-8-yl acetate

Rating: (*)★(*)★(*)★(*)★(*)☆

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
n/a
InChI=1S/C17H20O4/c1-8-5-6-12-9(2)17(19)21-16(12)15-10(3)14(7-13(8)15)20-11(4)18/h12-16H,1-3,5-7H2,4H3
C17H20O4
288.13615912
O=C1OC2C(C1=C)CCC(=C)C3CC(OC(=O)C)C(=C)C23
GKMFOEIZCLMZDE-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
306.17
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
288.136
1
positive
A4_GA4_01_8054.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
4.07960293994036
0.8018723717698444
[M+NH4]+
15.478720972043778 ppm
-0.004739120000010644 Da