Spektraris NMR
12-Ethoxynimbolinin A
Common Name: 12-Ethoxynimbolinin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H46O9/c1-9-39-26-13-23-33(7)25(43-31(37)17(2)3)14-24(41-19(5)35)32(6)16-40-28(29(32)33)30(36)34(23,8)27-18(4)21(12-22(27)42-26)20-10-11-38-15-20/h10-11,15,21-26,28-30,36H,2,9,12-14,16H2,1,3-8H3/t21-,22+,23-,24-,25+,26-,28-,29+,30-,32-,33+,34-/m1/s1
InChIKey: InChIKey=CVIGGJLTDXXNEX-XGOAXVTGSA-N
Formula: C34H46O9
Molecular Weight: 598.72494
Exact Mass: 598.314183
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, Q., Shi, Y., Liu, X.T., Liang, J.Y., Ip, N.Y., Min, Z.D. Planta Med (2007) 73, 1298-303
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) | 71.4 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 71.6 |
| 4 (C) | 42.8 |
| 5 (CH) | 38.2 |
| 6 (CH) | 73.9 |
| 7 (CH) | 73.3 |
| 8 (C) | 46.2 |
| 9 (CH) | 34.6 |
| 10 (C) | 40.8 |
| 11 (CH2) | 32.1 |
| 12 (CH) | 96.5 |
| 13 (C) | 138.7 |
| 14 (C) | 144.6 |
| 15 (CH) | 77.3 |
| 16 (CH2) | 38 |
| 17 (CH) | 46.6 |
| 18 (CH3) | 16 |
| 19 (CH3) | 15.7 |
| 20 (C) | 128.8 |
| 21 (CH) | 139 |
| 22 (CH) | 110.4 |
| 23 (CH) | 142.8 |
| 28 (CH2) | 78.1 |
| 29 (CH3) | 19.7 |
| 30 (CH3) | 20.7 |
| 1a (C) | 165.9 |
| 1b (C) | 137.4 |
| 1c (CH2) | 125.3 |
| 1ba (CH3) | 18.4 |
| 3a (C) | 170.3 |
| 3b (CH3) | 20.8 |
| 12a (CH2) | 62.4 |
| 12b (CH3) | 14.9 |
