Spektraris NMR
(13S,19R)-6α-Acetoxy-4α,18-epoxy-7β-hydroxyneoclerodan-16,15-olide 19,2α-(19-Otigloyl)hemiacetal
Common Name: (13S,19R)-6α-Acetoxy-4α,18-epoxy-7β-hydroxyneoclerodan-16,15-olide 19,2α-(19-Otigloyl)hemiacetal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O9/c1-6-14(2)22(30)36-24-27-19(11-18(35-24)12-26(27)13-33-26)25(5,9-7-17-8-10-32-23(17)31)15(3)20(29)21(27)34-16(4)28/h6,15,17-21,24,29H,7-13H2,1-5H3/b14-6+/t15-,17-,18+,19-,20?,21+,24-,25+,26+,27+/m1/s1
InChIKey: InChIKey=TTZUFSMZLOAANI-NCRQAJERSA-N
Formula: C27H38O9
Molecular Weight: 506.586262
Exact Mass: 506.251583
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) | 28 |
| 2 (CH) | 67 |
| 3 (CH2) | 36.9 |
| 4 (C) | 60.4 |
| 5 (C) | 41.8 |
| 6 (CH) | 72.9 |
| 7 (CH) | 71.1 |
| 8 (CH) | 40.4 |
| 9 (C) | 39.5 |
| 10 (CH) | 41.7 |
| 11 (CH2) | 34.7 |
| 12 (CH2) | 23.1 |
| 13 (CH) | 39.1 |
| 14 (CH2) | 26.6 |
| 15 (CH2) | 66.3 |
| 16 (C) | 178.9 |
| 17 (CH3) | 10.7 |
| 18 (CH2) | 49.9 |
| 19 (CH) | 91.8 |
| 20 (CH3) | 18.1 |
| 6a (C) | 170.5 |
| 6b (CH3) | 20.8 |
| 19a (C) | 166.2 |
| 19b (C) | 128.7 |
| 19c (CH) | 138.6 |
| 19d (CH3) | 14.4 |
| 19ba (CH3) | 11.8 |
