Spektraris NMR
pterodolide
Common Name: pterodolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O8/c1-8-28-24-12-21(5)10-9-18(29-20(27)22(6)14(3)30-22)23(7,31-15(4)25)17(21)11-16(24)13(2)19(26)32-24/h14,17-18H,8-12H2,1-7H3/t14?,17-,18-,21-,22?,23+,24+/m1/s1
InChIKey: InChIKey=NVOOZIHATPIEAS-IHVCYDCZSA-N
Formula: C24H34O8
Molecular Weight: 450.522887
Exact Mass: 450.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, Y.B., Jia, W., Yao, Z., Pan, Q., Takaishi, Y., Duan, H.Q. J Asian Nat Prod Res (2007) 9, 233-7
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) | 33.6 |
| 2 (CH2) | 22.9 |
| 3 (CH) | 73.3 |
| 4 (C) | 82.7 |
| 5 (CH) | 50.3 |
| 6 (CH2) | 21.9 |
| 7 (C) | 159.3 |
| 8 (C) | 105.7 |
| 9 (CH2) | 53.5 |
| 10 (C) | 35.2 |
| 11 (C) | 124.1 |
| 12 (C) | 171.6 |
| 13 (CH3) | 8.1 |
| 14 (CH3) | 19.1 |
| 15 (CH3) | 17.9 |
| 3a (C) | 168.2 |
| 3b (C) | 59.9 |
| 3c (CH) | 59.6 |
| 3d (CH3) | 19.3 |
| 3e (CH3) | 13.9 |
| 4a (C) | 169.1 |
| 4c (CH3) | 22.1 |
| 8a (CH2) | 58.7 |
| 8b (CH3) | 15.2 |
