Spektraris NMR
Milolide M
Common Name: Milolide M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O11/c1-13-9-10-21(36-17(5)30)27(8)22(37-18(6)31)12-20(35-16(4)29)14(2)11-23-28(34,15(3)26(33)39-23)25(24(13)27)38-19(7)32/h9,11,15,20-25,34H,10,12H2,1-8H3/b14-11-/t15-,20+,21-,22-,23-,24+,25-,27+,28-/m0/s1
InChIKey: InChIKey=HTWLWEWBMJYXQL-JVXFAWNXSA-N
Formula: C28H38O11
Molecular Weight: 550.595808
Exact Mass: 550.241412
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) | 72.6 |
| 3 (CH2) | 37.7 |
| 4 (CH) | 72.2 |
| 5 (C) | 145.8 |
| 6 (CH) | 122.1 |
| 7 (CH) | 77.7 |
| 8 (C) | 81.5 |
| 9 (CH) | 69.4 |
| 10 (CH) | 39.8 |
| 11 (C) | 134.2 |
| 12 (CH) | 120.7 |
| 13 (CH2) | 26.3 |
| 14 (CH) | 73.1 |
| 15 (CH3) | 14.4 |
| 16 (CH3) | 25.9 |
| 17 (CH) | 43.6 |
| 18 (CH3) | 6.9 |
| 19 (C) | 176.1 |
| 20 (CH3) | 24.6 |
| 2a (C) | 171.1 |
| 2b (CH3) | 21.6 |
| 4a (C) | 170.3 |
| 4b (CH3) | 21.1 |
| 9a (C) | 170.4 |
| 9b (CH3) | 21.4 |
| 14a (C) | 169.6 |
| 14b (CH3) | 21.2 |
