Spectrum VF-NPL-QEHF019230 for (3E,5S,7R,8R,11E,13S,15R,16R)-3,5,7,11,13,15-hexamethyl-8,16-bis(1,3-oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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/C28H38N2O6/c1-17-7-19(3)25(11-23-13-29-15-33-23)35-28(32)22(6)10-18(2)8-20(4)26(12-24-14-30-16-34-24)36-27(31)21(5)9-17/h9-10,13-20,25-26H,7-8,11-12H2,1-6H3/b21-9+,22-10+/t17-,18-,19+,20+,25+,26+/m0/s1
C28H38N2O6
498.272986936
O=C1OC(CC=2OC=NC2)C(C)CC(C=C(C(=O)OC(CC=3OC=NC3)C(C)CC(C=C1C)C)C)C
LAJRJVDLKYGLOO-HLRFMGGZSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_UC_1651_p21_C08_6.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.344401085988285
0.7060929348885382
537.2361450195312
[M+K]+
251.5503056181816 ppm
-0.1351419164687968 Da