Spektraris NMR
Labiatina B
Common Name: Labiatina B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O8/c1-13(2)18-12-21(31-15(4)27)26(8,34-17(6)29)23-20-11-14(3)19(30)9-10-25(7,33-16(5)28)24(32-20)22(18)23/h13,18,20-24H,3,9-12H2,1-2,4-8H3/t18-,20-,21+,22-,23-,24-,25-,26-/m0/s1
InChIKey: InChIKey=RCEMOGNHLAWDRL-HNUGIWDZSA-N
Formula: C26H38O8
Molecular Weight: 478.576121
Exact Mass: 478.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roussis, V., Fenical, W., Vagias, C., Kornprobst, J., Miralles, J. Tetrahedron (1996) 52, 2735-42
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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) | 42.2 |
| 2 (CH) | 89.5 |
| 3 (C) | 84.3 |
| 4 (CH2) | 33.5 |
| 5 (CH2) | 35.2 |
| 6 (C) | 205.4 |
| 7 (C) | 148.2 |
| 8 (CH2) | 41.4 |
| 9 (CH) | 77.8 |
| 10 (CH) | 47.3 |
| 11 (C) | 80.3 |
| 12 (CH) | 73.3 |
| 13 (CH2) | 22.8 |
| 14 (CH) | 34.7 |
| 15 (CH3) | 21.4 |
| 16 (CH2) | 119.4 |
| 17 (CH3) | 22.6 |
| 18 (CH) | 27.5 |
| 19 (CH3) | 14.8 |
| 20 (CH3) | 21.3 |
| 3a (C) | 170.1 |
| 3b (CH3) | 22.1 |
| 11a (C) | 169.7 |
| 11b (CH3) | 22.5 |
| 12a (C) | 169.6 |
| 12b (CH3) | 21.3 |
