Spektraris NMR
8-O-(Octanoyl)-8-O-debutanoylnortrilobolide
Common Name: 8-O-(Octanoyl)-8-O-debutanoylnortrilobolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O10/c1-8-10-11-12-13-14-23(32)38-22-16-28(6,40-19(5)31)20-15-21(37-26(33)17(3)9-2)18(4)24(20)25-30(22,36)29(7,35)27(34)39-25/h9,20-22,25,35-36H,8,10-16H2,1-7H3/b17-9-/t20-,21+,22-,25-,28-,29+,30+/m0/s1
InChIKey: InChIKey=QJWDXTLCHCXPRD-IPQSZTJZSA-N
Formula: C30H44O10
Molecular Weight: 564.665519
Exact Mass: 564.293448
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) | 143.5 |
| 5 (C) | 131.6 |
| 6 (CH) | 77.5 |
| 7 (C) | 79 |
| 8 (CH) | 68.8 |
| 9 (CH2) | 38.8 |
| 10 (C) | 86.1 |
| 11 (C) | 78.9 |
| 12 (C) | 175.7 |
| 13 (CH3) | 16.7 |
| 14 (CH3) | 22.9 |
| 15 (CH3) | 13.5 |
| 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) | 24.9 |
| 8d (CH2) | 29.5 |
| 8e (CH2) | 29.3 |
| 8f (CH2) | 32 |
| 8g (CH2) | 23 |
| 8h (CH3) | 14.5 |
| 10a (C) | 171.1 |
| 10b (CH3) | 22.5 |
