Spektraris NMR
Cichotyboside
Common Name: Cichotyboside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O15/c1-10-18-20(13(22(36)24(18)38)9-42-30-26(40)25(39)23(37)16(8-31)43-30)27-19(11(2)29(41)45-27)28(21(10)35)44-17(34)6-4-12-3-5-14(32)15(33)7-12/h3-7,11,16,19,21-23,25-28,30-33,35-37,39-40H,8-9H2,1-2H3/b6-4+/t11?,16-,19+,21-,22?,23-,25+,26-,27+,28+,30-/m1/s1
InChIKey: InChIKey=BDDVBGXHTQRRGI-WBSDCCNBSA-N
Formula: C30H34O15
Molecular Weight: 634.583136
Exact Mass: 634.18977
NMR Solvent: CCl4
MHz:
Calibration:
NMR references: 13C - Ahmed, B., Khan, S., Masood, M.H., Siddique, A.H. J Asian Nat Prod Res (2008) 10, 218-23
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 114.8 |
| 2 (C) | 172.6 |
| 3 (CH) | 70.1 |
| 4 (C) | 148.5 |
| 5 (C) | 121.3 |
| 6 (CH) | 79.2 |
| 7 (CH) | 48.6 |
| 8 (CH) | 69.9 |
| 9 (CH) | 63.1 |
| 10 (C) | 145.6 |
| 11 (CH) | 48.6 |
| 12 (C) | 166.1 |
| 13 (CH3) | 38.4 |
| 14 (CH3) | 39.3 |
| 15 (CH2) | 63.1 |
| 1' (CH) | 100.4 |
| 2' (CH) | 74.9 |
| 3' (CH) | 78 |
| 4' (CH) | 73.6 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 63.4 |
| 1'' (C) | 165.3 |
| 2'' (CH) | 115.8 |
| 3'' (CH) | 148.5 |
| 4'' (C) | 121.5 |
| 5'' (CH) | 121.5 |
| 6'' (C) | 145.2 |
| 7'' (C) | 145.6 |
| 8'' (CH) | 115.9 |
| 9'' (CH) | 125.6 |
