Spektraris NMR
Milolide J
Common Name: Milolide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O14/c1-12-19(34)10-21(40-15(4)31)28(7)22(41-16(5)32)11-20(39-14(3)30)18(27(36)38-8)9-23-29(37,13(2)26(35)43-23)25(24(12)28)42-17(6)33/h9,12-13,19-25,34,37H,10-11H2,1-8H3/b18-9+/t12-,13-,19-,20+,21-,22-,23-,24+,25-,28+,29-/m0/s1
InChIKey: InChIKey=KWLNKPHVFOFLTM-UWERLEBLSA-N
Formula: C29H40O14
Molecular Weight: 612.62064
Exact Mass: 612.241806
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kwak, J.H., Schmitz, F.J., Williams, G.C. J Nat Prod (2002) 65, 704-8
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) | 45.2 |
| 2 (CH) | 73.9 |
| 3 (CH2) | 37.1 |
| 4 (CH) | 67.8 |
| 5 (C) | 138.3 |
| 6 (CH) | 137.9 |
| 7 (CH) | 77.2 |
| 8 (C) | 82.5 |
| 9 (CH) | 75.6 |
| 10 (CH) | 38.1 |
| 11 (CH) | 44.6 |
| 12 (CH) | 67 |
| 13 (CH2) | 28.7 |
| 14 (CH) | 76.3 |
| 15 (CH3) | 15.1 |
| 16 (C) | 167.9 |
| 17 (CH) | 43.5 |
| 18 (CH3) | 6.4 |
| 19 (C) | 175.9 |
| 20 (CH3) | 8.8 |
| 2a (C) | 170.3 |
| 2b (CH3) | 21.7 |
| 4a (C) | 169.7 |
| 4b (CH3) | 21.2 |
| 9a (C) | 170.3 |
| 9b (CH3) | 21.2 |
| 14a (C) | 168.7 |
| 14b (CH3) | 21.9 |
| 16a (CH3) | 53 |
