Spectrum VF-NPL-LTQ006382 for Strophanthidin

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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
404.219888744
O=CC12CCC(O)CC2(O)CCC3C1CCC4(C)C(C5=CC(=O)OC5)CCC34O
ODJLBQGVINUMMR-HZXDTFASSA-N

Mass Spectral Metadata

NameValue
35
NP_C1_52_p3_C10_POS_iTree_28.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.822752273201106
0.8295703097454422
443.258447265625
M-H
90344.21062623839 ppm
40.04583452162501 Da