Spektraris NMR
(13S,19R)-7β-Acetoxy-4α,18-epoxy-6α-hydroxyneoclerodan-16,15-olide 19,2α-(19-Oisobutyryl)hemiacetal
Common Name: (13S,19R)-7β-Acetoxy-4α,18-epoxy-6α-hydroxyneoclerodan-16,15-olide 19,2α-(19-Oisobutyryl)hemiacetal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O9/c1-13(2)33-23(30)21-26-18(10-17(35-21)11-25(26)12-32-25)24(5,8-6-16-7-9-31-22(16)29)14(3)19(20(26)28)34-15(4)27/h13-14,16-21,28H,6-12H2,1-5H3/t14-,16-,17+,18-,19-,20+,21?,24+,25+,26+/m1/s1
InChIKey: InChIKey=NDVKXMXPIZRHQJ-WRVCIMNZSA-N
Formula: C26H38O9
Molecular Weight: 494.575526
Exact Mass: 494.251583
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) | 28.1 |
| 2 (CH) | 66.9 |
| 3 (CH2) | 36.4 |
| 4 (C) | 61.9 |
| 5 (C) | 41.7 |
| 6 (CH) | 71.5 |
| 7 (CH) | 74.1 |
| 8 (CH) | 39.3 |
| 9 (C) | 39.8 |
| 10 (CH) | 39.7 |
| 11 (CH2) | 34.8 |
| 12 (CH2) | 23.2 |
| 13 (CH) | 39.2 |
| 14 (CH2) | 26.4 |
| 15 (CH2) | 66.5 |
| 16 (C) | 179.1 |
| 17 (CH3) | 10.6 |
| 18 (CH2) | 50.7 |
| 19 (CH) | 92.5 |
| 20 (CH3) | 18.1 |
| 7a (C) | 170.4 |
| 7b (CH3) | 20.9 |
| 19a (C) | 175.1 |
| 19b (CH) | 34.2 |
| 19c (CH3) | 18.4 |
| 19ba (CH3) | 18.5 |
