Spektraris NMR
7-Acetyl-10-methoxydeacetyldihydrobotrydial
Common Name: 7-Acetyl-10-methoxydeacetyldihydrobotrydial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O7/c1-10-8-13(26-11(2)21)15-18(4,5)17(27-12(3)22)19(6)9-25-16(24-7)14(10)20(15,19)23/h10,13-17,23H,8-9H2,1-7H3/t10-,13+,14-,15+,16+,17-,19+,20-/m1/s1
InChIKey: InChIKey=IHSBZCFQDCYGJE-HRKQAJMZSA-N
Formula: C20H32O7
Molecular Weight: 384.464657
Exact Mass: 384.214803
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 (CH) | 54.3 |
| 2 (CH) | 28 |
| 3 (CH2) | 39.3 |
| 4 (CH) | 72.1 |
| 5 (CH) | 58.4 |
| 6 (C) | 40.9 |
| 7 (CH) | 84.6 |
| 8 (C) | 47.9 |
| 9 (C) | 79.3 |
| 10 (CH) | 98.2 |
| 11 (CH3) | 19.8 |
| 12 (CH3) | 20.7 |
| 13 (CH3) | 33.9 |
| 14 (CH3) | 17.5 |
| 15 (CH2) | 66.3 |
| 4a (C) | 170.7 |
| 4b (CH3) | 20.8 |
| 7a (C) | 170.2 |
| 7b (CH3) | 21.2 |
| 10a (CH3) | 54.8 |
