Spektraris NMR
8-O-(Dodecanoyl)-8-O-debutanoylnortrilobolide
Common Name: 8-O-(Dodecanoyl)-8-O-debutanoylnortrilobolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O10/c1-8-10-11-12-13-14-15-16-17-18-27(36)42-26-20-32(6,44-23(5)35)24-19-25(41-30(37)21(3)9-2)22(4)28(24)29-34(26,40)33(7,39)31(38)43-29/h9,24-26,29,39-40H,8,10-20H2,1-7H3/b21-9-/t24-,25+,26-,29-,32-,33+,34+/m0/s1
InChIKey: InChIKey=PTOLDSROGFHZGU-VFCZBPRFSA-N
Formula: C34H52O10
Molecular Weight: 620.771989
Exact Mass: 620.356048
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - S¯hoel, H., Jensen, A.M.L., M¯ller, J.V., Nissen, P., Denmeade, S.R., Isaacs, J.T., Olsen, C.E., Christensen, S.B. Bioorg Med Chem (2006) 14, 2810-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 51 |
| 2 (CH2) | 32.5 |
| 3 (CH) | 79.9 |
| 4 (C) | 143.4 |
| 5 (C) | 131.6 |
| 6 (CH) | 77.5 |
| 7 (C) | 79 |
| 8 (CH) | 66.7 |
| 9 (CH2) | 38.7 |
| 10 (C) | 86.2 |
| 11 (C) | 78.9 |
| 12 (C) | 175.7 |
| 13 (CH3) | 14.5 |
| 14 (CH3) | 16.6 |
| 15 (CH3) | 22.8 |
| 3a (C) | 167.8 |
| 3b (C) | 127.9 |
| 3c (CH) | 138.7 |
| 3d (CH3) | 16.3 |
| 3e (CH3) | 21.1 |
| 8a (C) | 173 |
| 8b (CH2) | 35 |
| 8c (CH2) | 24.8 |
| 8d (CH2) | 29.9 |
| 8e (CH2) | 29.8 |
| 8f (CH2) | 29.7 |
| 8g (CH2) | 29.6 |
| 8h (CH2) | 29.5 |
| 8i (CH2) | 29.5 |
| 8j (CH2) | 32.2 |
| 8k (CH2) | 23 |
| 8l (CH3) | 13.5 |
| 10a (C) | 171.2 |
| 10b (CH3) | 22.5 |
