Spektraris NMR
Musiduol
Common Name: Musiduol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O10/c1-14(31)38-22-24-28(6,21(35)12-19-26(3,4)40-30(36)20(34)7-9-29(19,24)30)23-18(33)11-17(16-8-10-37-13-16)27(23,5)25(22)39-15(2)32/h8,10,13,17,19,21-25,35-36H,7,9,11-12H2,1-6H3/t17?,19-,21+,22+,23+,24-,25-,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=VCSNAPDQKDZVBG-QRAKBOSJSA-N
Formula: C30H38O10
Molecular Weight: 558.617875
Exact Mass: 558.246497
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nihei, K., Asaka, Y., Mine, Y., Yamada, Y., Iigo, M., Yanagisawa, T., Kubo, I. J Nat Prod (2006) 69, 975-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 104.9 |
| 2 (C) | 210 |
| 3 (CH2) | 31.5 |
| 4 (C) | 85.3 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 28.2 |
| 7 (CH) | 71.3 |
| 8 (C) | 39.5 |
| 9 (CH) | 43.5 |
| 10 (C) | 55.7 |
| 11 (CH) | 71.5 |
| 12 (CH) | 71.2 |
| 13 (C) | 44.5 |
| 14 (CH) | 57.9 |
| 15 (C) | 219.9 |
| 16 (CH2) | 43.1 |
| 17 (CH) | 37.9 |
| 18 (CH3) | 21.5 |
| 19 (CH2) | 35.2 |
| 20 (C) | 122.9 |
| 21 (CH) | 139.9 |
| 22 (CH) | 110.4 |
| 23 (CH) | 143.6 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 32 |
| 30 (CH3) | 19.4 |
| 11a (C) | 171 |
| 11b (CH3) | 20.9 |
| 12a (C) | 169.5 |
| 12b (CH3) | 21.9 |
