Spectrum VF-NPL-QEHF023035 for 6-hydroxy-9,12,13-trimethyl-14-(2-methylpropyl)-2H,5H,6H,7H,8H,13H,13aH,14H,15H,16H,16bH-oxacyclododeca[3,2-e]isoindole-2,16-dione

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
C24H35NO4
401.25660860000005
O=C1OC23C(O)=NC(CC(C)C)C3C(C(=CC2C=C(C)CCC(O)CC=C1)C)C
InChI=1S/C24H35NO4/c1-14(2)11-20-22-17(5)16(4)13-18-12-15(3)9-10-19(26)7-6-8-21(27)29-24(18,22)23(28)25-20/h6,8,12-14,17-20,22,26H,7,9-11H2,1-5H3,(H,25,28)
NDJDZINMNBVVHS-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_UC_580_p8_D04_NEG_QEHF_330.raw
11
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.3716109293518404
0.5874098562332516
400.2493286132812
[M-H]-
0.009960588516056208 ppm
-3.986718866144656E-6 Da