Spectrum VF-NPL-LTQ007426 for Strophanthidinic Acid Lactone Acetate

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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/C25H32O7/c1-14(26)31-16-3-9-24-18-4-7-22(2)17(15-11-20(27)30-13-15)6-10-25(22,32-21(24)28)19(18)5-8-23(24,29)12-16/h11,16-19,29H,3-10,12-13H2,1-2H3
C25H32O7
444.214803364
O=C1OCC(=C1)C2CCC34OC(=O)C56CCC(OC(=O)C)CC6(O)CCC4C5CCC23C
RPIVIODUUUOQDD-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
NP_UC_2069_p01_E10_02_POS_iTree_04.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.0
NaN
461.87998272931134
M+H
36063.934329610165 ppm
16.65720936531136 Da