Spektraris NMR
rel-18(S),19(R)-Diacetoxy-18,19-epoxy-2(R),6(S),16-trihydroxy-6(S)-myristoyloxy-5(R),8(R),9(S),10(R)-cleroda-3,12,14-triene
Common Name: rel-18(S),19(R)-Diacetoxy-18,19-epoxy-2(R),6(S),16-trihydroxy-6(S)-myristoyloxy-5(R),8(R),9(S),10(R)-cleroda-3,12,14-triene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H60O10/c1-7-9-10-11-12-13-14-15-16-17-18-19-32(43)47-34-33(44)25(3)37(6,21-20-28(8-2)24-39)31-23-29(42)22-30-35(45-26(4)40)48-36(38(30,31)34)46-27(5)41/h8,20,22,25,29,31,33-36,39,42,44H,2,7,9-19,21,23-24H2,1,3-6H3/b28-20+/t25-,29+,31+,33-,34+,35+,36-,37-,38-/m0/s1
InChIKey: InChIKey=FLOKZUWFMRUBNA-GUAVIRGYSA-N
Formula: C38H60O10
Molecular Weight: 676.878459
Exact Mass: 676.418648
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gibbons, S., Gray, A.I., Waterman, P.G. Phytochemistry (1996) 43, 635-8
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) | 29.8 |
| 2 (CH) | 63.8 |
| 3 (CH) | 127.1 |
| 4 (C) | 141.4 |
| 5 (C) | 52.8 |
| 6 (CH) | 76.4 |
| 7 (CH) | 72.2 |
| 8 (CH) | 43.1 |
| 9 (C) | 38.8 |
| 10 (CH) | 36.4 |
| 11 (CH2) | 34.8 |
| 12 (CH) | 131 |
| 13 (C) | 139.3 |
| 14 (CH) | 138.3 |
| 15 (CH2) | 113.5 |
| 16 (CH2) | 57.4 |
| 17 (CH3) | 11.4 |
| 18 (CH) | 95.2 |
| 19 (CH) | 97.7 |
| 20 (CH3) | 25.6 |
| 6a (C) | 174.4 |
| 6b (CH2) | 32.1 |
| 6c (CH2) | 31 |
| 6d (CH2) | 29.9 |
| 6e (CH2) | 29.9 |
| 6f (CH2) | 29.9 |
| 6g (CH2) | 29.9 |
| 6h (CH2) | 29.7 |
| 6i (CH2) | 29.6 |
| 6j (CH2) | 29.5 |
| 6k (CH2) | 29.4 |
| 6l (CH2) | 24.9 |
| 6m (CH2) | 22.9 |
| 6n (CH3) | 14.3 |
| 18a (C) | 170.2 |
| 18b (CH3) | 21.4 |
| 19a (C) | 170.2 |
| 19b (CH3) | 21.4 |
