Spektraris NMR
7-Hydroxy-10-oxodehydrodihydrobotrydial
Common Name: 7-Hydroxy-10-oxodehydrodihydrobotrydial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-8-5-6-9-11-10(8)12(16)18-7-15(11,4)13(17)14(9,2)3/h5-6,13,17H,7H2,1-4H3/t13-,15-/m1/s1
InChIKey: InChIKey=LRWPUTIRAUMRFY-UKRRQHHQSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Krohn, K., Dai, J., Florke, U., Aust, H.J., Drager, S., Schulz, B. J Nat Prod (2005) 68, 400-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Botryanes; 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 (C) | 120 |
| 2 (C) | 140.3 |
| 3 (CH) | 131.9 |
| 4 (CH) | 127.9 |
| 5 (C) | 144 |
| 6 (C) | 47.4 |
| 7 (CH) | 85 |
| 8 (C) | 43.7 |
| 9 (C) | 148 |
| 10 (C) | 164 |
| 11 (CH3) | 20.5 |
| 12 (CH3) | 23.8 |
| 13 (CH3) | 28.1 |
| 14 (CH3) | 17.4 |
| 15 (CH2) | 79 |
