Spektraris NMR
Scabronine H
Common Name: Scabronine H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O5/c1-17(15-28)20-9-10-26(2)11-12-27(3)21(24(20)26)14-22(29)19(13-23(27)30)16-32-25(31)18-7-5-4-6-8-18/h4-8,13,17,21-23,28-30H,9-12,14-16H2,1-3H3/t17?,21-,22+,23+,26-,27-/m1/s1
InChIKey: InChIKey=QZEMMWXYJUKIBS-IFHWEPNRSA-N
Formula: C27H36O5
Molecular Weight: 440.572761
Exact Mass: 440.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, B.J., Zhu, H.J., Liu, J.K. Helv Chim Acta (2004) 87, 2877-81
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cyathanes; 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) | 39.2 |
| 2 (CH2) | 30 |
| 3 (C) | 143.7 |
| 4 (C) | 136.1 |
| 5 (CH) | 41.4 |
| 6 (C) | 43.8 |
| 7 (CH2) | 33 |
| 8 (CH2) | 38 |
| 9 (C) | 50.6 |
| 10 (CH2) | 37 |
| 11 (CH) | 71.6 |
| 12 (C) | 141.2 |
| 13 (CH) | 131.6 |
| 14 (CH) | 76.5 |
| 15 (CH2) | 67.2 |
| 16 (CH3) | 17.3 |
| 17 (CH3) | 25 |
| 18 (CH) | 36.5 |
| 19 (CH2) | 67.4 |
| 20 (CH3) | 16.4 |
| 15a (C) | 167.8 |
| 15b (C) | 128.6 |
| 15c (CH) | 130.6 |
| 15d (CH) | 129.6 |
| 15e (CH) | 134.2 |
| 15f (CH) | 129.6 |
| 15g (CH) | 130.6 |
