Spectrum VF-NPL-QEHF003218 for PROTOVERATRINE A

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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/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1
C41H63NO14
793.4248556959999
O=C(OC1C(OC(=O)C)C2C3(O)C(OC(=O)C(C)CC)C(O)C4C(CN5CC(C)CCC5C4(O)C)C3CC62OC7(O)C(OC(=O)C(O)(C)CC)CCC6(C)C17)C
HYTGGNIMZXFORS-MGYKWWNKSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_C1_36_p8_H10_NEG_QEHF_120.raw
14
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.3701137286298832
0.25715945439121457
792.4175415039062
[M-H]-
0.04819693103387892 ppm
-3.819209359789966E-5 Da