Spektraris NMR
Baenzigeride B Acetate
Common Name: Baenzigeride B Acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30O8/c1-13(24)29-8-5-6-17-22(2)10-15(14-7-9-28-12-14)31-20(25)18(22)16-11-23(17,3)19(30-16)21(26)27-4/h7,9,12,15-19H,5-6,8,10-11H2,1-4H3/t15-,16-,17-,18-,19+,22-,23+/m0/s1
InChIKey: InChIKey=BAFBLSJFGFWLPT-ZWJIQWELSA-N
Formula: C23H30O8
Molecular Weight: 434.480388
Exact Mass: 434.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tuntiwachwuttikul, P., Taylor, W.C. Chem Pharm Bull (2001) 49, 854-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 24 |
| 2 (CH2) | 31.2 |
| 3 (CH2) | 64.1 |
| 4 (CH) | 80.2 |
| 5 (C) | 47.8 |
| 6 (CH2) | 42.3 |
| 7 (CH) | 79 |
| 8 (CH) | 53.7 |
| 9 (C) | 36.3 |
| 10 (CH) | 49.7 |
| 11 (CH2) | 42.5 |
| 12 (CH) | 70.2 |
| 13 (C) | 124.5 |
| 14 (CH) | 108.3 |
| 15 (CH) | 143.9 |
| 16 (CH) | 139.7 |
| 17 (C) | 170.2 |
| 18 (C) | 172.4 |
| 19 (CH3) | 21.2 |
| 20 (CH3) | 27.5 |
| 3a (C) | 171 |
| 3b (CH3) | 20.9 |
| 18a (CH3) | 51.9 |
