Spektraris NMR
Sylviside
Common Name: Sylviside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O12/c1-5-14(2)25(36)43-23-22(34)21(33)18(13-32)42-26(23)41-17-11-29(4)19-7-6-16-10-30(19,24(35)15(16)3)9-8-20(29)31(12-17,27(37)38)28(39)40/h5,16-24,26,32-35H,3,6-13H2,1-2,4H3,(H,37,38)(H,39,40)/b14-5+/t16-,17+,18-,19+,20+,21-,22+,23-,24+,26-,29+,30-/m1/s1
InChIKey: InChIKey=PUCBVOBXLMBRDL-PISQVOHWSA-N
Formula: C31H44O12
Molecular Weight: 608.675065
Exact Mass: 608.283277
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Konopleva, M.M., Matlawska, I., Wojcinska, M., Ahmed, A.A., Rybczynska, M., Paszel, A., Ohta, S., Hirata, T., Bylka, W., Mabry, T.J., Cannon, J.F. J Nat Prod (2006) 69, 394-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH2) | 46.5 |
| 2 (CH) | 71.5 |
| 3 (CH2) | 39.2 |
| 4 (C) | 57.7 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 22.6 |
| 7 (CH2) | 34.5 |
| 8 (C) | 47.3 |
| 9 (CH) | 52.9 |
| 10 (C) | 39.8 |
| 11 (CH2) | 17.9 |
| 12 (CH2) | 32.1 |
| 13 (CH) | 41.9 |
| 14 (CH2) | 35.9 |
| 15 (CH) | 82.1 |
| 16 (C) | 158.6 |
| 17 (CH2) | 108.4 |
| 18 (C) | 174.3 |
| 19 (C) | 174.1 |
| 20 (CH3) | 16.7 |
| 1' (CH) | 99 |
| 2' (CH) | 73.1 |
| 3' (CH) | 74.8 |
| 4' (CH) | 70.1 |
| 5' (CH) | 75.8 |
| 6' (CH2) | 61.3 |
| 2'a (C) | 167.3 |
| 2'b (C) | 127.3 |
| 2'c (CH) | 138.2 |
| 2'd (CH3) | 15.4 |
| 2'e (CH3) | 19.9 |
