Spectrum VF-NPL-QEHF025504 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
35HCD
NP_UC_2069_p1_E10_8.raw
17
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.390954193280769
0.5474220654254027
462.2486267089844
[M+NH4]+
10.290252346429986 ppm
-0.0047566550156261656 Da