Spektraris NMR
Mayotolides B
Common Name: Mayotolides B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H44O12/c1-19(2)21-7-9-23-11-25(47-36(23)43)17-39(5,46)33(31-15-27(35(41)42)29(13-21)49-31)51-38(45)28-16-32-34-40(6,52-34)18-26-12-24(37(44)48-26)10-8-22(20(3)4)14-30(28)50-32/h11-12,15-16,21-22,25-26,33-34,46H,1,3,7-10,13-14,17-18H2,2,4-6H3,(H,41,42)/t21-,22-,25-,26-,33+,34-,39+,40+/m0/s1
InChIKey: InChIKey=ADCMAKDKVFILGH-BLSVTEKGSA-N
Formula: C40H44O12
Molecular Weight: 716.771688
Exact Mass: 716.283277
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rudi, A., Lev-Ari Dayan, T., Aknin, M., Gaydou, E.M., Kashman, Y. J Nat Prod (1998) 61, 872-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 40.5 |
| 2 (CH2) | 32.7 |
| 3 (C) | 148.3 |
| 4 (C) | 113.1 |
| 5 (CH) | 106.1 |
| 6 (C) | 148.3 |
| 7 (CH) | 54.8 |
| 8 (C) | 57.2 |
| 9 (CH2) | 39.7 |
| 10 (CH) | 78 |
| 11 (CH) | 148.5 |
| 12 (C) | 137.1 |
| 13 (CH2) | 22.7 |
| 14 (CH2) | 32.8 |
| 15 (C) | 145.6 |
| 16 (CH2) | 113.2 |
| 17 (CH3) | 18.3 |
| 18 (C) | 162.3 |
| 19 (CH3) | 18.8 |
| 20 (C) | 174.7 |
| 1' (CH) | 43.9 |
| 2' (CH2) | 31.7 |
| 3' (C) | 150 |
| 4' (C) | 118.1 |
| 5' (CH) | 110.5 |
| 6' (C) | 148.4 |
| 7' (CH) | 75.1 |
| 8' (C) | 72.3 |
| 9' (CH2) | 43.4 |
| 10' (CH) | 78.7 |
| 11' (CH) | 148.8 |
| 12' (C) | 132.8 |
| 13' (CH2) | 21.6 |
| 14' (CH2) | 28.1 |
| 15' (C) | 148.5 |
| 16' (CH2) | 112.1 |
| 17' (CH3) | 18.3 |
| 18' (C) | 158 |
| 19' (CH3) | 19.8 |
| 20' (C) | 174.1 |
