Spektraris NMR
6,20-bis-Deacetylteupyreinidine
Common Name: 6,20-bis-Deacetylteupyreinidine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O9/c1-13-8-19(27)23(11-30-14(2)25)18(4-5-20(32-15(3)26)24(23)12-31-24)22(13)9-17(33-21(22)28)16-6-7-29-10-16/h6-7,10,13,17-21,27-28H,4-5,8-9,11-12H2,1-3H3/t13-,17+,18-,19+,20+,21+,22-,23+,24-/m1/s1
InChIKey: InChIKey=NZHRQVNIWJSSCR-MYHZJNNASA-N
Formula: C24H32O9
Molecular Weight: 464.50641
Exact Mass: 464.204633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ladjel, S., Laamara, K., Alhillo, M.R.Y., Pais, M. Phytochemistry (1994) 37, 1663-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 22.8 |
| 2 (CH2) | 32.9 |
| 3 (CH) | 67.9 |
| 4 (C) | 67.5 |
| 5 (C) | 46.7 |
| 6 (CH) | 71.4 |
| 7 (CH2) | 36.5 |
| 8 (CH) | 42.1 |
| 9 (C) | 54 |
| 10 (CH) | 51.5 |
| 11 (CH2) | 44 |
| 12 (CH) | 74.1 |
| 13 (C) | 126.1 |
| 14 (CH) | 109.8 |
| 15 (CH) | 144.3 |
| 16 (CH) | 140.4 |
| 17 (CH3) | 18.3 |
| 18 (CH2) | 44.9 |
| 19 (CH2) | 63.5 |
| 20 (CH) | 100.9 |
| 3a (C) | 170.4 |
| 3b (CH3) | 21.7 |
| 19a (C) | 172.8 |
| 19b (CH3) | 21.8 |
