Spektraris NMR
(13S)-11b,19-Diacetoxy-4a,18;8b,13-diepoxy-6a-isobutyroxy-neo-clerodan-15,16-olide
Common Name: (13S)-11b,19-Diacetoxy-4a,18;8b,13-diepoxy-6a-isobutyroxy-neo-clerodan-15,16-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O10/c1-16(2)23(32)37-21-10-24(5)25(6,20(36-18(4)30)11-26(38-24)12-22(31)34-13-26)19-8-7-9-27(14-35-27)28(19,21)15-33-17(3)29/h16,19-21H,7-15H2,1-6H3/t19-,20+,21+,24+,25+,26+,27+,28+/m1/s1
InChIKey: InChIKey=IDFGPSFGOXFUHL-RNGJIQKASA-N
Formula: C28H40O10
Molecular Weight: 536.612285
Exact Mass: 536.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Malakov, P.Y., Papanov, G.Y., Spassov, S.L. Phytochemistry (1997) 44, 121-4
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) | 21.7 |
| 2 (CH2) | 25.1 |
| 3 (CH2) | 32.4 |
| 4 (C) | 64.8 |
| 5 (C) | 45.2 |
| 6 (CH) | 67.6 |
| 7 (CH2) | 38.4 |
| 8 (C) | 81.7 |
| 9 (C) | 42.2 |
| 10 (CH) | 42.8 |
| 11 (CH) | 72.5 |
| 12 (CH2) | 34.8 |
| 13 (C) | 77.7 |
| 14 (CH2) | 43.7 |
| 15 (C) | 172.7 |
| 16 (CH2) | 77.1 |
| 17 (CH3) | 24.1 |
| 18 (CH2) | 48.4 |
| 19 (CH2) | 61.7 |
| 20 (CH3) | 16.1 |
| 6a (C) | 175.6 |
| 6b (CH) | 34.1 |
| 6c (CH3) | 18.7 |
| 6ba (CH3) | 18.7 |
| 11a (C) | 170.2 |
| 11b (CH3) | 21.2 |
| 19a (C) | 171 |
| 19b (CH3) | 21.2 |
