Spektraris NMR
16-Acetoxymilolide N
Common Name: 16-Acetoxymilolide N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O13/c1-9-10-27(37)44-23-14-25(42-20(6)35)31(8)24(41-19(5)34)12-11-16(2)28(31)29(43-21(7)36)32(39)17(3)30(38)45-26(32)13-22(23)15-40-18(4)33/h11,13,17,23-26,28-29,39H,9-10,12,14-15H2,1-8H3/b22-13-/t17-,23+,24-,25-,26-,28+,29-,31+,32-/m0/s1
InChIKey: InChIKey=LRFHJTKTRAEERT-TVGYZMLKSA-N
Formula: C32H44O13
Molecular Weight: 636.685206
Exact Mass: 636.278191
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) | 44.8 |
| 2 (CH) | 72.5 |
| 3 (CH2) | 37.8 |
| 4 (CH) | 68.4 |
| 5 (C) | 142.5 |
| 6 (CH) | 121.3 |
| 7 (CH) | 76.9 |
| 8 (C) | 81.6 |
| 9 (CH) | 69.4 |
| 10 (CH) | 39.7 |
| 11 (C) | 134.1 |
| 12 (CH) | 120.8 |
| 13 (CH2) | 26.4 |
| 14 (CH) | 72.8 |
| 15 (CH3) | 14.2 |
| 16 (CH2) | 66.3 |
| 17 (CH) | 43.6 |
| 18 (CH3) | 7 |
| 19 (C) | 175.8 |
| 20 (CH3) | 24.6 |
| 2a (C) | 171.3 |
| 2b (CH3) | 21.6 |
| 4a (C) | 172.8 |
| 4b (CH2) | 36.1 |
| 4c (CH2) | 18.4 |
| 4d (CH3) | 13.6 |
| 9a (C) | 169.5 |
| 9b (CH3) | 21.1 |
| 14a (C) | 170.7 |
| 14b (CH3) | 21.2 |
| 16a (C) | 170.7 |
| 16b (CH3) | 21 |
