Spektraris NMR
2'S-Cipadesin A
Common Name: 2'S-Cipadesin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O9/c1-8-16(2)28(36)40-26-23-24(35)31(6,19(29(26,3)4)13-21(33)37-7)18-9-11-30(5)20(32(18)27(23)41-32)14-22(34)39-25(30)17-10-12-38-15-17/h10,12,15-16,18-20,23,25-27H,8-9,11,13-14H2,1-7H3/t16-,18+,19-,20?,23-,25-,26+,27+,30+,31+,32+/m0/s1
InChIKey: InChIKey=JFCFHKVHDISZHG-AXHOESGPSA-N
Formula: C32H42O9
Molecular Weight: 570.671705
Exact Mass: 570.282883
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gan, L.S., Wang, X.N., Wu, Y., Yue, J.M. J Nat Prod (2007) 70, 1344-7
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) | 214.3 |
| 2 (CH) | 48.8 |
| 3 (CH) | 76.8 |
| 4 (C) | 39.4 |
| 5 (CH) | 42.5 |
| 6 (CH2) | 33.1 |
| 7 (C) | 174.2 |
| 8 (C) | 60.6 |
| 9 (CH) | 55.9 |
| 10 (C) | 48.2 |
| 11 (CH2) | 19.3 |
| 12 (CH2) | 33.4 |
| 13 (C) | 36.4 |
| 14 (CH) | 45.9 |
| 15 (CH2) | 34.1 |
| 16 (C) | 172 |
| 17 (CH) | 78.8 |
| 18 (CH3) | 26.5 |
| 19 (CH3) | 15.8 |
| 20 (C) | 120.1 |
| 21 (CH) | 140.9 |
| 22 (CH) | 110.3 |
| 23 (CH) | 143.1 |
| 28 (CH3) | 20.9 |
| 29 (CH3) | 22.4 |
| 30 (CH) | 63.5 |
| 3a (C) | 175.8 |
| 3b (CH) | 41.5 |
| 3c (CH2) | 26.6 |
| 3d (CH3) | 17.4 |
| 3e (CH3) | 11.9 |
| 7a (CH3) | 52.3 |
