Spektraris NMR
Taxodistines A
Common Name: Taxodistines A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O4/c1-11(2)12-10-13-14(16(23)15(12)22)21(5)9-7-8-20(3,4)19(21)17(24)18(13)25-6/h10-11,17-19,22-24H,7-9H2,1-6H3/t17-,18+,19-,21+/m0/s1
InChIKey: InChIKey=NAFCRWTYYJXRIX-YOUFYPILSA-N
Formula: C21H32O4
Molecular Weight: 348.477178
Exact Mass: 348.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hirasawa, Y., Izawa, E., Matsuno, Y., Kawahara, N., Goda, Y., Morita, H. Bioorg Med Chem Lett (2007) 17, 5868-71
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) | 36.9 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.4 |
| 4 (C) | 33.7 |
| 5 (CH) | 53.2 |
| 6 (CH) | 68.8 |
| 7 (CH) | 85.9 |
| 8 (C) | 126.5 |
| 9 (C) | 133.6 |
| 10 (C) | 41.6 |
| 11 (C) | 141.9 |
| 12 (C) | 139.9 |
| 13 (C) | 132.1 |
| 14 (CH) | 115.7 |
| 15 (CH) | 27.3 |
| 16 (CH3) | 22.6 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 35.8 |
| 19 (CH3) | 23.2 |
| 20 (CH3) | 21.8 |
| 7a (CH3) | 53 |
