Spektraris NMR
Cipadessalide
Common Name: Cipadessalide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O12/c1-6-16(2)27(38)30(39)44-29-28(43-15-34)26-18(25-20(35)9-19(32(25,29)4)17-7-8-40-12-17)13-41-22-11-24(37)45-31(3)14-42-23(36)10-21(31)33(22,26)5/h7-8,12,15-16,19-22,26-29,35,38H,6,9-11,13-14H2,1-5H3/t16?,19-,20+,21-,22-,26+,27?,28+,29-,31+,32-,33+/m0/s1
InChIKey: InChIKey=IGAWJAFLFPMXQD-YHNBCYQNSA-N
Formula: C33H42O12
Molecular Weight: 630.680655
Exact Mass: 630.267627
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, L.G., Tang, C.P., Ke, C.Q., Zhang, Y., Ye, Y. J Nat Prod (2008) 71, 628-32
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) | 80.9 |
| 2 (CH2) | 40.3 |
| 3 (C) | 170.6 |
| 4 (C) | 80.6 |
| 5 (CH) | 39.4 |
| 6 (CH2) | 31.2 |
| 7 (C) | 173.7 |
| 8 (C) | 127.5 |
| 9 (CH) | 53.2 |
| 10 (C) | 49.5 |
| 11 (CH) | 69.6 |
| 12 (CH) | 75 |
| 13 (C) | 49.4 |
| 14 (C) | 148.2 |
| 15 (CH) | 68.8 |
| 16 (CH2) | 41.2 |
| 17 (CH) | 43.4 |
| 18 (CH3) | 17 |
| 19 (CH3) | 18.5 |
| 20 (C) | 122.4 |
| 21 (CH) | 140.3 |
| 22 (CH) | 110.5 |
| 23 (CH) | 142.8 |
| 28 (CH2) | 75.3 |
| 29 (CH3) | 24 |
| 30 (CH2) | 69.2 |
| 11a (CH) | 160.8 |
| 12a (C) | 174.7 |
| 12b (CH) | 74.7 |
| 12c (CH) | 38.2 |
| 12d (CH2) | 23.5 |
| 12e (CH3) | 15.2 |
| 12f (CH3) | 11.6 |
