Spektraris NMR
Scutebarbatine F
Common Name: Scutebarbatine F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H37NO9/c1-17-9-7-11-21-27(17,4)24(39-26(35)20-10-8-12-31-15-20)25(38-19(3)33)29(6)28(21,5)22(37-18(2)32)13-30(40-29)14-23(34)36-16-30/h8-10,12,15,21-22,24-25H,7,11,13-14,16H2,1-6H3/t21-,22-,24-,25-,27-,28-,29-,30+/m0/s1
InChIKey: InChIKey=PGDYKRFBYIVCFR-PJQPFQITSA-N
Formula: C30H37N1O9
Molecular Weight: 555.617272
Exact Mass: 555.246832
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, S.J., Chen, M., Liu, K., Jiang, Y.T., Shen, L. Chem Pharm Bull (2006) 54, 869-72
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) | 28.8 |
| 2 (CH2) | 33.3 |
| 3 (CH) | 120.2 |
| 4 (C) | 143.6 |
| 5 (C) | 44.6 |
| 6 (CH) | 73.3 |
| 7 (CH) | 74.2 |
| 8 (C) | 81.1 |
| 9 (C) | 38.9 |
| 10 (CH) | 43.5 |
| 11 (CH) | 72.1 |
| 12 (CH2) | 29.5 |
| 13 (C) | 76.7 |
| 14 (CH2) | 44.5 |
| 15 (C) | 173.7 |
| 16 (CH2) | 76.6 |
| 17 (CH3) | 19.8 |
| 18 (CH3) | 20.2 |
| 19 (CH3) | 16.8 |
| 20 (CH3) | 21.3 |
| 1' (C) | 164.4 |
| 2' (C) | 126.4 |
| 3' (CH) | 150.7 |
| 5' (CH) | 153.8 |
| 6' (CH) | 123.9 |
| 7' (CH) | 137.5 |
| 7a (C) | 171.1 |
| 7b (CH3) | 21.6 |
| 11a (C) | 169.9 |
| 11b (CH3) | 20.8 |
