Spektraris NMR
16-Acetoxymilolide A
Common Name: 16-Acetoxymilolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O14/c1-13-27(36)43-24-9-19(12-38-14(2)31)20(39-15(3)32)10-21(40-16(4)33)28(7)22(41-17(5)34)11-23-29(8,44-23)25(28)26(30(13,24)37)42-18(6)35/h9,13,20-26,37H,10-12H2,1-8H3/b19-9-/t13-,20+,21-,22-,23-,24-,25+,26-,28-,29-,30-/m0/s1
InChIKey: InChIKey=ORUKJJWOQDYSJV-IUTLLLPSSA-N
Formula: C30H40O14
Molecular Weight: 624.631376
Exact Mass: 624.241806
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) | 45.2 |
| 2 (CH) | 72.8 |
| 3 (CH2) | 38.1 |
| 4 (CH) | 68.5 |
| 5 (C) | 141.3 |
| 6 (CH) | 122.6 |
| 7 (CH) | 77.5 |
| 8 (C) | 81.6 |
| 9 (CH) | 70.6 |
| 10 (CH) | 38.3 |
| 11 (C) | 63.4 |
| 12 (CH) | 60.4 |
| 13 (CH2) | 25.2 |
| 14 (CH) | 73.1 |
| 15 (CH3) | 15 |
| 16 (CH2) | 66.3 |
| 17 (CH) | 43.1 |
| 18 (CH3) | 6.8 |
| 19 (C) | 176.5 |
| 20 (CH3) | 25 |
| 2a (C) | 171 |
| 2b (CH3) | 21.6 |
| 4a (C) | 170.6 |
| 4b (CH3) | 21 |
| 9a (C) | 170.5 |
| 9b (CH3) | 20.8 |
| 14a (C) | 170.1 |
| 14b (CH3) | 21 |
| 16a (C) | 168.2 |
| 16b (CH3) | 21 |
