Spektraris NMR
Musidunin
Common Name: Musidunin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O11/c1-15(32)40-26-25-18(24-20(34)11-19(17-8-10-38-13-17)29(24,5)27(26)41-16(2)33)14-39-31-22(35)7-9-30(25,31)21(12-23(36)37-6)28(3,4)42-31/h8,10,13,19-21,25-27,34H,7,9,11-12,14H2,1-6H3/t19-,20+,21-,25?,26+,27-,29-,30+,31+/m0/s1
InChIKey: InChIKey=ZSEOLXMSSSDPHI-TYUCQGQHSA-N
Formula: C31H38O11
Molecular Weight: 586.628016
Exact Mass: 586.241412
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 (CH2) | 30.1 |
| 2 (CH2) | 34.3 |
| 3 (C) | 210.7 |
| 4 (C) | 89.9 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 34.4 |
| 7 (C) | 172.6 |
| 8 (C) | 127.9 |
| 9 (CH) | 39.3 |
| 10 (C) | 57.8 |
| 11 (CH) | 69.1 |
| 12 (CH) | 75.3 |
| 13 (C) | 49.1 |
| 14 (C) | 145 |
| 15 (CH) | 68.5 |
| 16 (CH2) | 41 |
| 17 (CH) | 43.4 |
| 18 (CH3) | 17.1 |
| 19 (C) | 108.8 |
| 20 (C) | 122.6 |
| 21 (CH) | 140 |
| 22 (CH) | 110.6 |
| 23 (CH) | 142.6 |
| 28 (CH3) | 31.9 |
| 29 (CH3) | 26.1 |
| 30 (CH2) | 64.3 |
| 7a (CH3) | 52.1 |
| 11a (C) | 171.43 |
| 11b (CH3) | 21 |
| 12a (C) | 171.39 |
| 12b (CH3) | 20.5 |
