Spektraris NMR
16-Hydroxymilolide G
Common Name: 16-Hydroxymilolide G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O14/c1-13-21(36)10-23(41-17(5)33)29(8)24(42-18(6)34)11-22(40-16(4)32)20(12-39-15(3)31)9-25-30(38,14(2)28(37)44-25)27(26(13)29)43-19(7)35/h9,13-14,21-27,36,38H,10-12H2,1-8H3/b20-9-/t13-,14-,21-,22+,23-,24-,25-,26+,27-,29+,30-/m0/s1
InChIKey: InChIKey=PXLPNIZPLVKBDQ-LCIYENTRSA-N
Formula: C30H42O14
Molecular Weight: 626.647258
Exact Mass: 626.257456
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) | 45.4 |
| 2 (CH) | 73.7 |
| 3 (CH2) | 37 |
| 4 (CH) | 69.3 |
| 5 (C) | 142.1 |
| 6 (CH) | 122.3 |
| 7 (CH) | 77.4 |
| 8 (C) | 82 |
| 9 (CH) | 74.8 |
| 10 (CH) | 37.9 |
| 11 (CH) | 43.9 |
| 12 (CH) | 66.8 |
| 13 (CH2) | 28.7 |
| 14 (CH) | 76.7 |
| 15 (CH3) | 15.1 |
| 16 (CH2) | 66.4 |
| 17 (CH) | 43.4 |
| 18 (CH3) | 6.3 |
| 19 (C) | 176.5 |
| 20 (CH3) | 8.9 |
| 2a (C) | 171.2 |
| 2b (CH3) | 21.8 |
| 4a (C) | 170.6 |
| 4b (CH3) | 21 |
| 9a (C) | 170.8 |
| 9b (CH3) | 21.2 |
| 14a (C) | 170.1 |
| 14b (CH3) | 20.9 |
| 16a (C) | 168.7 |
| 16b (CH3) | 21 |
