Spektraris NMR
Steenkrotin B
Common Name: Steenkrotin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O7/c1-9-6-12(17(3,4)24)20(25)14-16(23)18(5,26-27-20)8-11-13(21)10(2)7-19(11,14)15(9)22/h8-10,12,14,16,23-25H,6-7H2,1-5H3/t9-,10+,12+,14-,16-,18-,19+,20+/m1/s1
InChIKey: InChIKey=PMQKRUBIKDXSCN-NOBMYEPTSA-N
Formula: C20H28O7
Molecular Weight: 380.432894
Exact Mass: 380.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Adelekan, A.M., Prozesky, E.A., Hussein, A.A., Urena, L.D., Rooyen, P.H.v., Liles, D.C., Meyer, J.J.M., Rodriguez, B. J Nat Prod (2008) 71, 1919-22
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 39.5 |
| 2 (CH) | 39.2 |
| 3 (C) | 206.5 |
| 4 (C) | 144.6 |
| 5 (CH) | 129.7 |
| 6 (C) | 68.6 |
| 7 (CH) | 75.6 |
| 8 (CH) | 36.5 |
| 9 (C) | 55.6 |
| 10 (C) | 212.4 |
| 11 (CH) | 44.5 |
| 12 (CH2) | 29.4 |
| 13 (CH) | 60.3 |
| 14 (C) | 110.1 |
| 15 (C) | 87.6 |
| 16 (CH3) | 22.3 |
| 17 (CH3) | 25.74 |
| 18 (CH3) | 18 |
| 19 (CH3) | 14.7 |
| 20 (CH3) | 25.7 |
