Spektraris NMR
Sibiricinone C
Common Name: Sibiricinone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O6/c1-12-15(22)16(23)17-19(2,3)8-6-9-20(17,4)21(12,25)10-7-13-11-14(26-5)27-18(13)24/h11-12,14,16-17,23,25H,6-10H2,1-5H3/t12-,14?,16-,17+,20+,21-/m1/s1
InChIKey: InChIKey=UEHATVMLPFUSJH-GSWHXBPJSA-N
Formula: C21H32O6
Molecular Weight: 380.475988
Exact Mass: 380.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Boalino, D.M., McLean, S., Reynolds, W.F., Tinto, W.F. J Nat Prod (2004) 67, 714-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 33.8 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 43.4 |
| 4 (C) | 34.9 |
| 5 (CH) | 49.4 |
| 6 (CH) | 75.9 |
| 7 (C) | 211.1 |
| 8 (CH) | 46.1 |
| 9 (C) | 81.7 |
| 10 (C) | 44 |
| 11 (CH2) | 31.6 |
| 12 (CH2) | 21.7 |
| 13 (C) | 138.7 |
| 14 (CH) | 142 |
| 15 (CH) | 102.7 |
| 16 (C) | 171.6 |
| 17 (CH3) | 8.5 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 24.6 |
| 20 (CH3) | 18.9 |
| 15a (CH3) | 57.2 |
