Spectrum NGA03166 for Strophanthidinic acid

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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
Steroids
InChI=1S/C23H32O7/c1-20-6-3-16-17(23(20,29)9-5-15(20)13-10-18(25)30-12-13)4-7-21(28)11-14(24)2-8-22(16,21)19(26)27/h10,14-17,24,28-29H,2-9,11-12H2,1H3,(H,26,27)/t14?,15?,16?,17?,20-,21?,22-,23?/m1/s1
XJIILRFVONGQOG-BNUXJICCSA-N
C23H32O7
420.214803364
O=C1OCC(=C1)C2CCC3(O)C4CCC5(O)CC(O)CCC5(C(=O)O)C4CCC23C

Mass Spectral Metadata

NameValue
NGA03166
2018.04.04
Nogawa T, Okano A, CSRS, RIKEN
BY-CC
Origin: Plant, Cardanolides
420.5073
Agilent 6410 Triple Quadrupole LC/MS system
LC-ESI-QQQ
MS2
positive
4.298482245913079
0.888798942785906
[M+H]+
421.222773364
0.0 ppm
0.0 Da