Spektraris NMR
(12S)-7a,19-Diacetoxy-4a,18;15,16-diepoxy-6r-hydroxy-neocleroda-13(16),14-dien-20,12-olide
Common Name: (12S)-7a,19-Diacetoxy-4a,18;15,16-diepoxy-6r-hydroxy-neocleroda-13(16),14-dien-20,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O9/c1-13-19(32-15(3)26)20(27)24(12-30-14(2)25)18(5-4-7-22(24)11-31-22)23(13)9-17(33-21(23)28)16-6-8-29-10-16/h6,8,10,13,17-20,27H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,19+,20+,22+,23-,24+/m1/s1
InChIKey: InChIKey=PMLCLCIKGSIFMM-ZYVKJICXSA-N
Formula: C24H30O9
Molecular Weight: 462.490528
Exact Mass: 462.188983
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mossner, E., delaTorre, M.C., Rodriguez, B. J Nat Prod (1996) 59, 367-73
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) | 22.4 |
| 2 (CH2) | 24.9 |
| 3 (CH2) | 30.8 |
| 4 (C) | 66.4 |
| 5 (C) | 44.1 |
| 6 (CH) | 71.6 |
| 7 (CH) | 74.3 |
| 8 (CH) | 41.2 |
| 9 (C) | 51.2 |
| 10 (CH) | 52.7 |
| 11 (CH2) | 46 |
| 12 (CH) | 71 |
| 13 (C) | 124.7 |
| 14 (CH) | 107.8 |
| 15 (CH) | 144.3 |
| 16 (CH) | 139.4 |
| 17 (CH3) | 12.4 |
| 18 (CH2) | 48.4 |
| 19 (CH2) | 62.8 |
| 20 (C) | 174.3 |
| 7a (C) | 171.2 |
| 7b (CH3) | 21.1 |
| 19a (C) | 170.5 |
| 19b (CH3) | 20.8 |
