Spektraris NMR
(13S)-6α,7β,15,16-Tetraacetoxy-4R,18-epoxyneoclerodane 2α,19-diol
Common Name: (13S)-6α,7β,15,16-Tetraacetoxy-4R,18-epoxyneoclerodane 2α,19-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O11/c1-16-24(38-19(4)32)25(39-20(5)33)28(14-29)23(11-22(34)12-27(28)15-37-27)26(16,6)9-7-21(13-36-18(3)31)8-10-35-17(2)30/h16,21-25,29,34H,7-15H2,1-6H3/t16-,21?,22-,23-,24-,25+,26+,27+,28+/m1/s1
InChIKey: InChIKey=VORHXCCYXYYQPH-YSBHFZTNSA-N
Formula: C28H44O11
Molecular Weight: 556.643452
Exact Mass: 556.288362
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B., de la Torre, M.C., Simmonds, M.S., Blaney, W.M. J Nat Prod (1999) 62, 594-600
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) | 34 |
| 2 (CH) | 68.8 |
| 3 (CH2) | 41.3 |
| 4 (C) | 61.7 |
| 5 (C) | 46 |
| 6 (CH) | 73.5 |
| 7 (CH) | 75.9 |
| 8 (CH) | 41.3 |
| 9 (C) | 40 |
| 10 (CH) | 43.2 |
| 11 (CH2) | 35 |
| 12 (CH2) | 23.1 |
| 13 (CH) | 34.7 |
| 14 (CH2) | 30.8 |
| 15 (CH2) | 63.1 |
| 16 (CH2) | 66.3 |
| 17 (CH3) | 10.4 |
| 18 (CH2) | 47.8 |
| 19 (CH2) | 62.6 |
| 20 (CH3) | 18.6 |
| 6a (C) | 171.3 |
| 6b (CH3) | 21 |
| 7a (C) | 171 |
| 7b (CH3) | 20.6 |
| 15a (C) | 170.9 |
| 15b (CH3) | 20.8 |
| 16a (C) | 169.3 |
| 16b (CH3) | 20.8 |
