Spectrum VF-NPL-QEHF010095 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
65HCD
MX_C2_765_p04_H09_POS_QEHF_874.raw
16
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.388715099151948
0.6951265860311048
569.2510986328125
[M+K]+
237.45175285929554 ppm
-0.13516967118744105 Da