Spektraris NMR
ceramicine B
Common Name: ceramicine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O11/c1-7-14(2)24(36)41-23-20-21-27(3,13-39-20)9-8-17(33)29(21,5)22-26(38)42-31(30(22,23)6)18(34)11-16(28(31,4)12-32)15-10-19(35)40-25(15)37/h7-10,12,16,18-23,26,34-35,38H,11,13H2,1-6H3/b14-7+/t16-,18-,19?,20+,21-,22-,23+,26-,27-,28-,29-,30-,31+/m0/s1
InChIKey: InChIKey=PNCLYQNEJBMPJC-CKWOIWPCSA-N
Formula: C31H38O11
Molecular Weight: 586.628016
Exact Mass: 586.241412
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mohamad, K., Hirasawa, Y., Lim, C.S., Awang, K., Hadi, A.H.A., Takeya, K., Morita, H. Tetrahedron Lett (2008) 49, 4276-8
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) | 203.9 |
| 2 (CH) | 130 |
| 3 (CH) | 153.7 |
| 4 (C) | 41.5 |
| 5 (CH) | 45.4 |
| 6 (CH) | 72.8 |
| 7 (CH) | 71.3 |
| 8 (C) | 55.2 |
| 9 (CH) | 63.6 |
| 10 (C) | 45.7 |
| 11 (CH) | 98.1 |
| 12 (CH) | 199 |
| 13 (C) | 59.1 |
| 14 (C) | 98.8 |
| 15 (CH) | 80.4 |
| 16 (CH2) | 34.7 |
| 17 (CH) | 39 |
| 18 (CH3) | 12 |
| 19 (CH3) | 21.9 |
| 20 (C) | 134.3 |
| 21 (C) | 172.9 |
| 22 (CH) | 149 |
| 23 (CH) | 97.1 |
| 28 (CH2) | 79.4 |
| 29 (CH3) | 19.9 |
| 30 (CH3) | 23.7 |
| 7a (C) | 166.4 |
| 7b (C) | 129.3 |
| 7c (CH) | 137.5 |
| 7d (CH3) | 14.8 |
| 7ba (CH3) | 12.2 |
