Spektraris NMR
8-Benzoyloxymutangin
Common Name: 8-Benzoyloxymutangin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H44O13/c1-24-22-31(50-25(2)43)34(51-26(3)44)41(23-49-37(46)28-16-10-7-11-17-28)36(54-39(48)30-20-14-9-15-21-30)33(53-38(47)29-18-12-8-13-19-29)32-35(52-27(4)45)42(24,41)55-40(32,5)6/h7-21,24,31-36H,22-23H2,1-6H3/t24-,31+,32-,33+,34+,35-,36+,41+,42-/m1/s1
InChIKey: InChIKey=BFFBXPBHYOLSOD-LTAVTJKKSA-N
Formula: C42H44O13
Molecular Weight: 756.792565
Exact Mass: 756.278191
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, J.J., Yang, C.S., Peng, C.F., Chen, I.S., Miaw, C.L. J Nat Prod (2008) 71, 1016-21
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Agarofurans; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 72.3 |
| 2 (CH) | 69.6 |
| 3 (CH2) | 31.4 |
| 4 (CH) | 33.3 |
| 5 (C) | 90 |
| 6 (CH) | 75.6 |
| 7 (CH) | 53.2 |
| 8 (CH) | 77.7 |
| 9 (CH) | 72.3 |
| 10 (C) | 53.1 |
| 11 (C) | 82.3 |
| 12 (CH3) | 26.2 |
| 13 (CH3) | 30.9 |
| 14 (CH2) | 66.1 |
| 15 (CH3) | 17.5 |
| 1a (C) | 169.8 |
| 1b (CH3) | 20.6 |
| 2a (C) | 170.5 |
| 2b (CH3) | 21.5 |
| 6a (C) | 169.8 |
| 6b (CH3) | 21.5 |
| 8a (C) | 165.7 |
| 8b (C) | 129.7 |
| 8c (CH) | 130.1 |
| 8d (CH) | 128.6 |
| 8e (CH) | 133.4 |
| 8f (CH) | 128.6 |
| 8g (CH) | 130.1 |
| 9a (C) | 164.8 |
| 9b (C) | 128.9 |
| 9c (CH) | 130.5 |
| 9d (CH) | 128.7 |
| 9e (CH) | 134 |
| 9f (CH) | 128.7 |
| 9g (CH) | 130.5 |
| 15a (C) | 166.7 |
| 15b (C) | 129.6 |
| 15c (CH) | 130.2 |
| 15d (CH) | 128.6 |
| 15e (CH) | 133.4 |
| 15f (CH) | 128.6 |
| 15g (CH) | 130.2 |
