Spectrum VF-NPL-QEHF013787 for Salvinorin 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/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
C23H28O8
432.178417856
O=C(OC1C(=O)C2C(C)(CCC3C(=O)OC(C4=COC=C4)CC32C)C(C(=O)OC)C1)C
OBSYBRPAKCASQB-AGQYDFLVSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_C3_27_p7_A03_NEG_QEHF_136.raw
13
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.1433000640652247
0.5557469263042646
431.171142578125
[M-H]-
0.0016747989578780268 ppm
7.221249802569218E-7 Da