Spektraris NMR
(13S)-6α,7β,15,16-Triacetoxy-4α,18-epoxyneoclerodan-19,2α-olide
Common Name: (13S)-6α,7β,15,16-Triacetoxy-4α,18-epoxyneoclerodan-19,2α-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O11/c1-15-23(37-18(4)31)24(38-19(5)32)28-22(11-21(39-25(28)33)12-27(28)14-36-27)26(15,6)9-7-20(13-35-17(3)30)8-10-34-16(2)29/h15,20-24H,7-14H2,1-6H3/t15-,20?,21+,22-,23-,24+,26+,27+,28+/m1/s1
InChIKey: InChIKey=WNGPCXDZMBKOBR-ATRZSRSHSA-N
Formula: C28H40O11
Molecular Weight: 552.611689
Exact Mass: 552.257062
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) | 30.5 |
| 2 (CH) | 69 |
| 3 (CH2) | 36.4 |
| 4 (C) | 61.3 |
| 5 (C) | 47.5 |
| 6 (CH) | 72.3 |
| 7 (CH) | 72.3 |
| 8 (CH) | 40.4 |
| 9 (C) | 40.3 |
| 10 (CH) | 41 |
| 11 (CH2) | 34.8 |
| 12 (CH2) | 23.3 |
| 13 (CH) | 34.4 |
| 14 (CH2) | 26.5 |
| 15 (CH2) | 61.9 |
| 16 (CH2) | 66 |
| 17 (CH3) | 10.4 |
| 18 (CH2) | 50.1 |
| 19 (C) | 170.8 |
| 20 (CH3) | 15.8 |
| 6a (C) | 170.7 |
| 6b (CH3) | 20.8 |
| 7a (C) | 170 |
| 7b (CH3) | 20.5 |
| 15a (C) | 169.7 |
| 15b (CH3) | 20.7 |
| 16a (C) | 170.7 |
| 16b (CH3) | 20.8 |
