Spektraris NMR
Milolide G
Common Name: Milolide G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O12/c1-12-9-23-28(35,14(3)26(34)40-23)25(39-18(7)32)24-13(2)19(33)10-21(37-16(5)30)27(24,8)22(38-17(6)31)11-20(12)36-15(4)29/h9,13-14,19-25,33,35H,10-11H2,1-8H3/b12-9-/t13-,14-,19-,20+,21-,22-,23-,24+,25-,27+,28-/m0/s1
InChIKey: InChIKey=RFOCFKAYHZWIJV-WEEXPAOTSA-N
Formula: C28H40O12
Molecular Weight: 568.611094
Exact Mass: 568.251977
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) | 45.5 |
| 2 (CH) | 73.6 |
| 3 (CH2) | 37.1 |
| 4 (CH) | 72.7 |
| 5 (C) | 145.6 |
| 6 (CH) | 122.3 |
| 7 (CH) | 77.8 |
| 8 (C) | 81.9 |
| 9 (CH) | 74.6 |
| 10 (CH) | 38 |
| 11 (CH) | 44.2 |
| 12 (CH) | 66.9 |
| 13 (CH2) | 28.8 |
| 14 (CH) | 76.8 |
| 15 (CH3) | 15.2 |
| 16 (CH3) | 25.8 |
| 17 (CH) | 43.4 |
| 18 (CH3) | 6.4 |
| 19 (C) | 176.5 |
| 20 (CH3) | 9 |
| 2a (C) | 170.5 |
| 2b (CH3) | 21.8 |
| 4a (C) | 170.2 |
| 4b (CH3) | 21.1 |
| 9a (C) | 170.3 |
| 9b (CH3) | 21.4 |
| 14a (C) | 168.7 |
| 14b (CH3) | 21.1 |
