Spectrum VF-NPL-QEHF003259 for Strophanthidin

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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/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1
C23H32O6
404.21988874399995
O=CC12CCC(O)CC2(O)CCC3C1CCC4(C)C(C5=CC(=O)OC5)CCC34O
ODJLBQGVINUMMR-HZXDTFASSA-N

Mass Spectral Metadata

NameValue
35HCD
NP_C1_52_p3_C10_POS_QEHF_138.raw
17
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.030509446633156
0.6528424177322577
443.1830444335938
[M+K]+
304.94016434869064 ppm
-0.13514431040613317 Da