Spektraris NMR
(13S,19R)-6α,7β-Diacetoxy-4α,18-epoxy-15,16-dihydroxyneoclerodane 19,2α-(19-O-tigloyl)hemiacetal
Common Name: (13S,19R)-6α,7β-Diacetoxy-4α,18-epoxy-15,16-dihydroxyneoclerodane 19,2α-(19-O-tigloyl)hemiacetal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O10/c1-7-16(2)25(34)39-26-29-22(12-21(38-26)13-28(29)15-35-28)27(6,10-8-20(14-31)9-11-30)17(3)23(36-18(4)32)24(29)37-19(5)33/h7,17,20-24,26,30-31H,8-15H2,1-6H3/b16-7+/t17-,20?,21+,22-,23-,24+,26-,27+,28+,29+/m1/s1
InChIKey: InChIKey=DPCJMJSNECUGPJ-AASAGFCCSA-N
Formula: C29H44O10
Molecular Weight: 552.654783
Exact Mass: 552.293448
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) | 30.9 |
| 2 (CH) | 66.9 |
| 3 (CH2) | 36.6 |
| 4 (C) | 60.6 |
| 5 (C) | 42 |
| 6 (CH) | 70.1 |
| 7 (CH) | 73.1 |
| 8 (CH) | 40 |
| 9 (C) | 39.7 |
| 10 (CH) | 40.4 |
| 11 (CH2) | 35.2 |
| 12 (CH2) | 24.4 |
| 13 (CH) | 39.3 |
| 14 (CH2) | 26.6 |
| 15 (CH2) | 60.6 |
| 16 (CH2) | 65.8 |
| 17 (CH3) | 10.6 |
| 18 (CH2) | 49.8 |
| 19 (CH) | 91.7 |
| 20 (CH3) | 18 |
| 6a (C) | 169.9 |
| 6b (CH3) | 20.5 |
| 7a (C) | 169.6 |
| 7b (CH3) | 20.5 |
| 19a (C) | 165.8 |
| 19b (C) | 128.6 |
| 19c (CH) | 139.4 |
| 19d (CH3) | 14.4 |
| 19ba (CH3) | 11.8 |
