Spektraris NMR
Milolide N
Common Name: Milolide N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O11/c1-9-10-25(34)40-21-14-23(38-19(6)32)29(8)22(37-18(5)31)12-11-15(2)26(29)27(39-20(7)33)30(36)17(4)28(35)41-24(30)13-16(21)3/h11,13,17,21-24,26-27,36H,9-10,12,14H2,1-8H3/b16-13-/t17-,21+,22-,23-,24-,26+,27-,29+,30-/m0/s1
InChIKey: InChIKey=YABKAVBLXPBVRQ-CNXXVXINSA-N
Formula: C30H42O11
Molecular Weight: 578.649043
Exact Mass: 578.272712
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) | 44.7 |
| 2 (CH) | 72.7 |
| 3 (CH2) | 37.7 |
| 4 (CH) | 72.1 |
| 5 (C) | 145.3 |
| 6 (CH) | 122.3 |
| 7 (CH) | 78.1 |
| 8 (C) | 81.5 |
| 9 (CH) | 69.4 |
| 10 (CH) | 39.7 |
| 11 (C) | 134.4 |
| 12 (CH) | 120.5 |
| 13 (CH2) | 26.3 |
| 14 (CH) | 73.1 |
| 15 (CH3) | 14.4 |
| 16 (CH3) | 25.7 |
| 17 (CH) | 43.7 |
| 18 (CH3) | 6.8 |
| 19 (C) | 176.6 |
| 20 (CH3) | 24.5 |
| 2a (C) | 171.1 |
| 2b (CH3) | 21.5 |
| 4a (C) | 172.9 |
| 4b (CH2) | 36.1 |
| 4c (CH2) | 18.4 |
| 4d (CH3) | 13.6 |
| 9a (C) | 170.4 |
| 9b (CH3) | 21.1 |
| 14a (C) | 169.6 |
| 14b (CH3) | 21.4 |
