Spektraris NMR
(5R*,7S*,8S*,9S*,10R*)-10-b-D-Glucopyranosyl-7a-acetoxycleroda-3,13-dien-15,16-olide-18-oate
Common Name: (5R*,7S*,8S*,9S*,10R*)-10-b-D-Glucopyranosyl-7a-acetoxycleroda-3,13-dien-15,16-olide-18-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O11/c1-14-18(37-15(2)30)12-28(4)17(25(35)39-26-23(33)22(32)21(31)19(13-29)38-26)6-5-7-20(28)27(14,3)10-8-16-9-11-36-24(16)34/h6,9,14,18-23,26,29,31-33H,5,7-8,10-13H2,1-4H3/t14-,18+,19-,20-,21-,22+,23-,26+,27+,28+/m1/s1
InChIKey: InChIKey=OKGWXHRKXHZNQK-KWKSBEKQSA-N
Formula: C28H40O11
Molecular Weight: 552.611689
Exact Mass: 552.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sigstad, E.E., Cuenca, M.D., Catalan, C.A.N., Gedris, T.E., Herz, W. Phytochemistry (1999) 50, 835-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 17.6 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 140.6 |
| 4 (C) | 140 |
| 5 (C) | 39.8 |
| 6 (CH2) | 41.3 |
| 7 (CH) | 72.7 |
| 8 (CH) | 41.2 |
| 9 (C) | 38.3 |
| 10 (CH) | 46.4 |
| 11 (CH2) | 36.3 |
| 12 (CH2) | 19.1 |
| 13 (C) | 134.4 |
| 14 (CH) | 143.6 |
| 15 (CH2) | 70.1 |
| 16 (C) | 174.4 |
| 17 (CH3) | 10.9 |
| 18 (C) | 164.6 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 19.3 |
| 1' (CH) | 94 |
| 2' (CH) | 73.7 |
| 3' (CH) | 77.2 |
| 4' (CH) | 69.8 |
| 5' (CH) | 76.4 |
| 6' (CH2) | 61.7 |
| 7a (C) | 171.1 |
| 7b (CH3) | 21.3 |
