Spectrum VF-NPL-QEHF010088 for Proscillaridin

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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/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21?,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1
C30H42O8
530.287968304
O=C1OC=C(C=C1)C2CCC3(O)C4CCC5=CC(OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC23C
MYEJFUXQJGHEQK-SEXHJYIHSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C2_765_p04_H09_NEG_QEHF_880.raw
10
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.3556050390670378
0.4467296105195682
529.2807006835938
[M-H]-
0.015832041183406052 ppm
8.379593850804667E-6 Da