Spektraris NMR
Taiwaniadduct A
Common Name: Taiwaniadduct A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O4/c1-18(2)10-8-11-20-12-15-29-21(17-31)24-27(5,6)13-9-14-28(24,7)30(29,16-20)26(34)23(32)22(19(3)4)25(29)33/h10,12,17,19,21,24,32H,8-9,11,13-16H2,1-7H3/t21-,24+,28+,29-,30-/m1/s1
InChIKey: InChIKey=WQZGGAOTTJDIFR-VPRVLAHLSA-N
Formula: C30H42O4
Molecular Weight: 466.653208
Exact Mass: 466.30831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, W.H., Fang, J.M., Cheng, Y.S. Phytochemistry (1996) 42, 1657-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-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) | 32.7 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 41.5 |
| 4 (C) | 33.9 |
| 5 (CH) | 52.9 |
| 6 (CH) | 204.3 |
| 7 (CH) | 56.4 |
| 8 (C) | 60.9 |
| 9 (C) | 63.4 |
| 10 (C) | 49.4 |
| 11 (C) | 198.5 |
| 12 (C) | 155.4 |
| 13 (C) | 131.4 |
| 14 (C) | 201.3 |
| 15 (CH) | 25.4 |
| 16 (CH3) | 18.8 |
| 17 (CH3) | 19.6 |
| 18 (CH3) | 35.6 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 19.6 |
| 1' (CH2) | 33.1 |
| 2' (CH) | 120.6 |
| 3' (C) | 140.6 |
| 4' (CH2) | 36.5 |
| 5' (CH2) | 25.4 |
| 6' (CH) | 123.5 |
| 7' (C) | 131.8 |
| 8' (CH3) | 25.5 |
| 9' (CH3) | 17.6 |
| 10' (CH2) | 34.7 |
