Spektraris NMR
Biatractylolide
Common Name: Biatractylolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O4/c1-17-9-7-11-27(5)15-29(23(13-21(17)27)19(3)25(31)33-29)30-16-28(6)12-8-10-18(2)22(28)14-24(30)20(4)26(32)34-30/h21-22H,1-2,7-16H2,3-6H3/t21-,22+,27+,28-,29-,30+
InChIKey: InChIKey=RBJDJJGMGHKQMI-IBROYFQSSA-N
Formula: C30H38O4
Molecular Weight: 462.621445
Exact Mass: 462.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rosquete, C., Del Olmo, E., Sanz, F., San Feliciano, A. Chem Pharm Bull (2002) 50, 964-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH2) | 42.2 |
| 2 (CH2) | 22.4 |
| 3 (CH2) | 36 |
| 4 (C) | 148 |
| 5 (CH) | 53 |
| 6 (CH2) | 28 |
| 7 (C) | 164.7 |
| 8 (C) | 89.5 |
| 9 (CH2) | 49.8 |
| 10 (C) | 37.1 |
| 11 (C) | 124.5 |
| 12 (C) | 172.1 |
| 13 (CH3) | 8.5 |
| 14 (CH3) | 17.3 |
| 15 (CH2) | 107.5 |
| 1' (CH2) | 42.2 |
| 2' (CH2) | 22.4 |
| 3' (CH2) | 36 |
| 4' (C) | 148 |
| 5' (CH) | 53 |
| 6' (CH2) | 28 |
| 7' (C) | 164.7 |
| 8' (C) | 89.5 |
| 9' (CH2) | 49.8 |
| 10' (C) | 37.1 |
| 11' (C) | 124.5 |
| 12' (C) | 172.1 |
| 13' (CH3) | 8.5 |
| 14' (CH3) | 17.3 |
| 15' (CH2) | 107.5 |
