Spektraris NMR
13-Hydroxyballonigrinolide
Common Name: 13-Hydroxyballonigrinolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-11-12(5-8-20(24)9-13(21)25-10-20)18(2)6-4-7-19(3)16(18)15(14(11)22)26-17(19)23/h15-16,24H,4-10H2,1-3H3/t15-,16-,18-,19+,20?/m1/s1
InChIKey: InChIKey=JRBMIKVAUKDRCI-NNFYAJEDSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Tasdemir, D., Sticher, O., Calis, I., Linden, A. J Nat Prod (1997) 60, 874-9
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) | 29.8 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 28.1 |
| 4 (C) | 42.7 |
| 5 (CH) | 48.8 |
| 6 (CH) | 76.8 |
| 7 (C) | 195.2 |
| 8 (C) | 130.8 |
| 9 (C) | 169 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.2 |
| 12 (CH2) | 36.4 |
| 13 (C) | 77 |
| 14 (CH2) | 42.2 |
| 15 (C) | 178 |
| 16 (CH2) | 79 |
| 17 (CH3) | 12.3 |
| 18 (CH3) | 24.7 |
| 19 (C) | 182.5 |
| 20 (CH3) | 28.4 |
