Spectrum VF-NPL-QEHF019593 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
546.2729869359999
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
65HCD
MX_UC_1730_p22_B08_6.raw
12
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.365693824311435
0.7369185216844814
585.2361450195312
[M+K]+
230.91860887056623 ppm
-0.13514191646868312 Da