Spektraris NMR
16-Hydroxymilolide A
Common Name: 16-Hydroxymilolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O13/c1-12-25(34)40-22-8-17(11-29)18(36-13(2)30)9-19(37-14(3)31)26(6)20(38-15(4)32)10-21-27(7,41-21)23(26)24(28(12,22)35)39-16(5)33/h8,12,18-24,29,35H,9-11H2,1-7H3/b17-8-/t12-,18+,19-,20-,21-,22-,23+,24-,26-,27-,28-/m0/s1
InChIKey: InChIKey=LSGHOKWJGLEFMI-XNPWDGACSA-N
Formula: C28H38O13
Molecular Weight: 582.594618
Exact Mass: 582.231241
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) | 73.9 |
| 3 (CH2) | 37.9 |
| 4 (CH) | 70.7 |
| 5 (C) | 146.2 |
| 6 (CH) | 126.3 |
| 7 (CH) | 77.5 |
| 8 (C) | 81.7 |
| 9 (CH) | 70.7 |
| 10 (CH) | 38.3 |
| 11 (C) | 63.5 |
| 12 (CH) | 60.1 |
| 13 (CH2) | 25.2 |
| 14 (CH) | 73.3 |
| 15 (CH3) | 15 |
| 16 (CH2) | 66.8 |
| 17 (CH) | 43.3 |
| 18 (CH3) | 6.8 |
| 19 (C) | 176.7 |
| 20 (CH3) | 24.9 |
| 2a (C) | 171.9 |
| 2b (CH3) | 21.7 |
| 4a (C) | 170.7 |
| 4b (CH3) | 21.2 |
| 9a (C) | 170.6 |
| 9b (CH3) | 21.1 |
| 14a (C) | 168.2 |
| 14b (CH3) | 21.1 |
