Spektraris NMR
16-Acetoxymilolide B
Common Name: 16-Acetoxymilolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O11/c1-12-23(31)36-20-9-16(11-33-13(2)27)7-8-17(34-14(3)28)24(5)18(35-15(4)29)10-19-25(6,37-19)21(24)22(30)26(12,20)32/h9,12,17-22,30,32H,7-8,10-11H2,1-6H3/b16-9+/t12-,17-,18-,19-,20-,21+,22-,24-,25-,26-/m0/s1
InChIKey: InChIKey=SERDASPZBFBYJK-ZMLKJOHWSA-N
Formula: C26H36O11
Molecular Weight: 524.558455
Exact Mass: 524.225762
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kwak, J.H., Schmitz, F.J., Williams, G.C. J Nat Prod (2001) 64, 754-60
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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) | 45.4 |
| 2 (CH) | 75.6 |
| 3 (CH2) | 31.8 |
| 4 (CH2) | 25 |
| 5 (C) | 142.9 |
| 6 (CH) | 117.7 |
| 7 (CH) | 77.2 |
| 8 (C) | 83 |
| 9 (CH) | 73.3 |
| 10 (CH) | 39.2 |
| 11 (C) | 64.9 |
| 12 (CH) | 61.1 |
| 13 (CH2) | 25.4 |
| 14 (CH) | 73.5 |
| 15 (CH3) | 15.5 |
| 16 (CH2) | 67.7 |
| 17 (CH) | 43.6 |
| 18 (CH3) | 7 |
| 19 (C) | 177.3 |
| 20 (CH3) | 25.2 |
| 2a (C) | 171.1 |
| 2b (CH3) | 21.2 |
| 14a (C) | 170.9 |
| 14b (CH3) | 21.1 |
| 16a (C) | 170.6 |
| 16b (CH3) | 20.1 |
