Spektraris NMR
Fortunin I
Common Name: Fortunin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O3/c1-12(2)13-9-14-15(10-16(13)22)21(4)8-6-7-20(3)11-24-18(19(20)21)17(14)23-5/h9-10,12,17-19,22H,6-8,11H2,1-5H3/t17-,18-,19-,20-,21+/m0/s1
InChIKey: InChIKey=BVELDVCZJFBEBH-UQVNRYHBSA-N
Formula: C21H30O3
Molecular Weight: 330.461891
Exact Mass: 330.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yao, S., Tang, C.P., Ke, C.Q., Ye, Y. J Nat Prod (2008) 71, 1242-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 38.1 |
| 2 (CH2) | 20 |
| 3 (CH2) | 34.8 |
| 4 (C) | 39.5 |
| 5 (CH) | 49.8 |
| 6 (CH) | 75.5 |
| 7 (CH) | 80.1 |
| 8 (C) | 126.5 |
| 9 (C) | 147.3 |
| 10 (C) | 37.6 |
| 11 (CH) | 111.5 |
| 12 (C) | 153.7 |
| 13 (C) | 132.7 |
| 14 (CH) | 130 |
| 15 (CH) | 26.9 |
| 16 (CH3) | 22.4 |
| 17 (CH3) | 22.6 |
| 18 (CH2) | 84.4 |
| 19 (CH3) | 18.8 |
| 20 (CH3) | 23.3 |
| 7a (CH3) | 59.7 |
