Spektraris NMR
Milolide A
Common Name: Milolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O12/c1-12-9-22-28(34,13(2)25(33)39-22)24(38-17(6)32)23-26(7,19(36-15(4)30)10-18(12)35-14(3)29)20(37-16(5)31)11-21-27(23,8)40-21/h9,13,18-24,34H,10-11H2,1-8H3/b12-9-/t13-,18+,19-,20-,21-,22-,23+,24-,26-,27-,28-/m0/s1
InChIKey: InChIKey=UTNGWDZAQOPXQZ-YRYCEAJYSA-N
Formula: C28H38O12
Molecular Weight: 566.595213
Exact Mass: 566.236327
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) | 45.3 |
| 2 (CH) | 73 |
| 3 (CH2) | 38 |
| 4 (CH) | 72.1 |
| 5 (C) | 144.4 |
| 6 (CH) | 122.9 |
| 7 (CH) | 78.4 |
| 8 (C) | 81.5 |
| 9 (CH) | 70.5 |
| 10 (CH) | 38.5 |
| 11 (C) | 63.4 |
| 12 (CH) | 60.3 |
| 13 (CH2) | 25.2 |
| 14 (CH) | 73.4 |
| 15 (CH3) | 15.1 |
| 16 (CH3) | 25.7 |
| 17 (CH) | 43.3 |
| 18 (CH3) | 6.7 |
| 19 (C) | 177 |
| 20 (CH3) | 25.2 |
| 2a (C) | 170.8 |
| 2b (CH3) | 21.6 |
| 4a (C) | 170.4 |
| 4b (CH3) | 21.2 |
| 9a (C) | 170.3 |
| 9b (CH3) | 21.1 |
| 14a (C) | 168.2 |
| 14b (CH3) | 21 |
