Spektraris NMR
cipadesin
Common Name: cipadesin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O11/c1-16-30-14-25(35)41-26(19-9-10-38-15-19)28(30,6)13-23(40-18(3)33)31(16,36)29(7)20(11-24(34)37-8)27(4,5)21(39-17(2)32)12-22(29)42-30/h9-10,15,20-23,26,36H,1,11-14H2,2-8H3/t20-,21+,22-,23-,26-,28-,29+,30-,31+/m0/s1
InChIKey: InChIKey=XRRWVGIPDVQIEG-LWUKFBRGSA-N
Formula: C31H40O11
Molecular Weight: 588.643897
Exact Mass: 588.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ren, Y.L., Tang, Q.R., Di, Y.T., He, H.P., Zhang, Z., Li, S.L., Hao, X.J. Helv Chim Acta (2007) 90, 764-8
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 (CH) | 74 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 76 |
| 4 (C) | 38.1 |
| 5 (CH) | 36.3 |
| 6 (CH2) | 31.5 |
| 7 (C) | 174.5 |
| 8 (C) | 145.7 |
| 9 (C) | 78.2 |
| 10 (C) | 50 |
| 11 (CH) | 75.3 |
| 12 (CH2) | 34.4 |
| 13 (C) | 40.3 |
| 14 (C) | 80.7 |
| 15 (CH2) | 34.1 |
| 16 (C) | 169.6 |
| 17 (CH) | 79.4 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 17.1 |
| 20 (C) | 120.8 |
| 21 (CH) | 140.1 |
| 22 (CH) | 109.5 |
| 23 (CH) | 143.1 |
| 28 (CH3) | 21.8 |
| 29 (CH3) | 27 |
| 30 (CH2) | 112.4 |
| 3a (C) | 169.3 |
| 3b (CH3) | 21.5 |
| 7a (CH3) | 52 |
| 11a (C) | 170 |
| 11b (CH3) | 21.2 |
