Spektraris NMR
8-O-(Decanoyl)-8-O-debutanoylnortrilobolide
Common Name: 8-O-(Decanoyl)-8-O-debutanoylnortrilobolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O10/c1-8-10-11-12-13-14-15-16-25(34)40-24-18-30(6,42-21(5)33)22-17-23(39-28(35)19(3)9-2)20(4)26(22)27-32(24,38)31(7,37)29(36)41-27/h9,22-24,27,37-38H,8,10-18H2,1-7H3/b19-9-/t22-,23+,24-,27-,30-,31+,32+/m0/s1
InChIKey: InChIKey=ZSWJWGCOHUANJY-ROJBIHNYSA-N
Formula: C32H48O10
Molecular Weight: 592.718754
Exact Mass: 592.324748
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) | 50.9 |
| 2 (CH2) | 32.5 |
| 3 (CH) | 79.7 |
| 4 (C) | 143.4 |
| 5 (C) | 131.5 |
| 6 (CH) | 77.5 |
| 7 (C) | 78.9 |
| 8 (CH) | 66.7 |
| 9 (CH2) | 37.7 |
| 10 (C) | 85.9 |
| 11 (C) | 78.7 |
| 12 (C) | 175.5 |
| 13 (CH3) | 16.7 |
| 14 (CH3) | 22.7 |
| 15 (CH3) | 13.5 |
| 3a (C) | 167.7 |
| 3b (C) | 127.7 |
| 3c (CH) | 138.7 |
| 3d (CH3) | 16.3 |
| 3e (CH3) | 21 |
| 8a (C) | 172.8 |
| 8b (CH2) | 34.9 |
| 8c (CH2) | 24.7 |
| 8d (CH2) | 29.9 |
| 8e (CH2) | 29.8 |
| 8f (CH2) | 29.5 |
| 8g (CH2) | 29.4 |
| 8h (CH2) | 32 |
| 8i (CH2) | 22.9 |
| 8j (CH3) | 14.4 |
| 10a (C) | 170.9 |
| 10b (CH3) | 22.4 |
