Spektraris NMR
(13S)-6α-Acetoxy-4α,18-epoxy-7rhydroxyneoclerodane-16,15;19,2α-diolide
Common Name: (13S)-6α-Acetoxy-4α,18-epoxy-7rhydroxyneoclerodane-16,15;19,2α-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O8/c1-11-16(24)17(29-12(2)23)22-15(8-14(30-19(22)26)9-21(22)10-28-21)20(11,3)6-4-13-5-7-27-18(13)25/h11,13-17,24H,4-10H2,1-3H3/t11-,13-,14+,15-,16+,17+,20+,21+,22+/m1/s1
InChIKey: InChIKey=PZZLMRJHVQMYMR-MSLFUITASA-N
Formula: C22H30O8
Molecular Weight: 422.469652
Exact Mass: 422.194068
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) | 27.3 |
| 2 (CH) | 69.3 |
| 3 (CH2) | 36.3 |
| 4 (C) | 62 |
| 5 (C) | 47.1 |
| 6 (CH) | 73.2 |
| 7 (CH) | 72.4 |
| 8 (CH) | 39 |
| 9 (C) | 38.6 |
| 10 (CH) | 41.8 |
| 11 (CH2) | 34.6 |
| 12 (CH2) | 22.1 |
| 13 (CH) | 38.6 |
| 14 (CH2) | 26.2 |
| 15 (CH2) | 66.3 |
| 16 (C) | 178.9 |
| 17 (CH3) | 12 |
| 18 (CH2) | 50.1 |
| 19 (C) | 174 |
| 20 (CH3) | 17.1 |
| 6a (C) | 170.3 |
| 6b (CH3) | 21 |
