Spektraris NMR
Rouyolide C
Common Name: Rouyolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O10/c1-10-17(4)24(31)36-19(6)29(8,35)26(33)37-20-14-16(3)12-13-22-28(7,39-22)15-21-23(20)30(9,27(34)38-21)40-25(32)18(5)11-2/h10-11,14,19-23,35H,12-13,15H2,1-9H3/b16-14+,17-10-,18-11-/t19?,20-,21-,22+,23-,28-,29?,30-/m1/s1
InChIKey: InChIKey=BUSAHALMCCWHAC-WTTMEWEESA-N
Formula: C30H42O10
Molecular Weight: 562.649638
Exact Mass: 562.277798
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Muckensturm, B., Sen, F., Boulanger, A., Reduron, J.P. Phytochemistry (2003) 63, 863-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (CH) | 61.7 |
| 2 (CH2) | 23.9 |
| 3 (CH2) | 35.9 |
| 4 (C) | 138.2 |
| 5 (CH) | 124.4 |
| 6 (CH) | 71.7 |
| 7 (CH) | 50.3 |
| 8 (CH) | 75.6 |
| 9 (CH2) | 42.1 |
| 10 (C) | 56.8 |
| 11 (C) | 77.5 |
| 12 (C) | 173.5 |
| 13 (CH3) | 24.6 |
| 14 (CH3) | 21.8 |
| 15 (CH3) | 17.2 |
| 6a (C) | 174.2 |
| 6b (C) | 106.1 |
| 6c (CH) | 73.8 |
| 6e (C) | 167.3 |
| 6f (C) | 127.4 |
| 6g (CH) | 141.1 |
| 6h (CH3) | 16 |
| 6ba (CH3) | 21.4 |
| 6ca (CH3) | 13.4 |
| 6fa (CH3) | 20.6 |
| 11a (C) | 166.5 |
| 11b (C) | 124.4 |
| 11c (CH) | 139.5 |
| 11d (CH3) | 16.1 |
| 11ba (CH3) | 20.6 |
