Spectrum VF-NPL-QEHF022950 for 2,7,7,11,15,17-hexamethyl-18-methylidene-5,13,16-trioxo-6,14-dioxatetracyclo[9.8.0.0²,⁸.0¹²,¹⁷]nonadec-3-en-10-yl acetate

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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
InChI=1S/C26H34O7/c1-13-11-17-24(6)10-9-19(28)33-23(4,5)16(24)12-18(32-15(3)27)26(17,8)20-22(30)31-14(2)21(29)25(13,20)7/h9-10,14,16-18,20H,1,11-12H2,2-8H3
C26H34O7
458.230453428
O=C1OC(C)(C)C2CC(OC(=O)C)C3(C)C4C(=O)OC(C(=O)C4(C(=C)CC3C2(C=C1)C)C)C
JFYYCQXZVIOBKU-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_UC_574_p8_F03_POS_QEHF_272.raw
6
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.513983459528228
0.7534023482968086
481.21966552734386
[M+Na]+
1.1593471674146885 ppm
-5.579006561333699E-4 Da