Spectrum VF-NPL-LTQ004935 for 7,15-bis(3,4-dimethoxyphenyl)-19-oxa-4,18-diazahexacyclo[10.6.1.0¹,⁹.0³,⁷.0¹⁰,¹⁵.0¹⁴,¹⁸]nonadec-8-en-12-ol

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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/C32H38N2O6/c1-36-23-7-5-19(13-25(23)38-3)29-9-11-33-27(29)17-32-22(15-29)21-16-30(35,40-32)18-28-31(21,10-12-34(28)32)20-6-8-24(37-2)26(14-20)39-4/h5-8,13-15,21,27-28,33,35H,9-12,16-18H2,1-4H3
C32H38N2O6
546.272986936
OC12OC34C(=CC5(C6=CC=C(OC)C(OC)=C6)CCNC5C3)C(C1)C7(C8=CC=C(OC)C(OC)=C8)CCN4C7C2
FOAPBJMMOXYHAN-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
MX_UC_1730_p22_B08_POS_iTree_02.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.6889722034416328
0.9939767812155856
547.2642211914062
M+H
30.580739514394445 ppm
-0.016735744593802337 Da