Spektraris NMR
Shizukaol N
Common Name: Shizukaol N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H38O10/c1-12(28(38)41-5)23-25-24-15(14-6-17(14)31(24,4)27(37)26(23)36)7-22-30(3)19-8-20(19)32(40,11-42-13(2)35)21(30)9-18-16(10-34)29(39)43-33(18,22)25/h14,17,19-22,25,27,34,37,40H,6-11H2,1-5H3/b23-12-/t14-,17-,19-,20+,21-,22+,25+,27+,30+,31+,32+,33+/m1/s1
InChIKey: InChIKey=PTYGXYXSMVKJCZ-UVJOWESFSA-N
Formula: C33H38O10
Molecular Weight: 594.650083
Exact Mass: 594.246497
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.C., Zhang, Y.N., Wang, L.L., Ma, S.P., Liu, J.H., Hu, L.H. J Nat Prod (2008) 71, 674-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Lindenanes; 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 (CH) | 25.8 |
| 2 (CH2) | 15.8 |
| 3 (CH) | 24.7 |
| 4 (C) | 142.3 |
| 5 (C) | 131.9 |
| 6 (CH) | 40.8 |
| 7 (C) | 131.4 |
| 8 (C) | 200.4 |
| 9 (CH) | 79.9 |
| 10 (C) | 50.9 |
| 11 (C) | 147.1 |
| 12 (C) | 171.5 |
| 13 (CH3) | 20.3 |
| 14 (CH3) | 15.3 |
| 15 (CH2) | 25.2 |
| 1' (CH) | 25.4 |
| 2' (CH2) | 11.7 |
| 3' (CH) | 28 |
| 4' (C) | 76.9 |
| 5' (CH) | 60.2 |
| 6' (CH2) | 22.3 |
| 7' (C) | 169.5 |
| 8' (C) | 93.2 |
| 9' (CH) | 55.1 |
| 10' (C) | 44.7 |
| 11' (C) | 127.2 |
| 12' (C) | 172.4 |
| 13' (CH2) | 54.5 |
| 14' (CH3) | 26.2 |
| 15' (CH2) | 71.6 |
| 1'' (C) | 171.1 |
| 2'' (CH3) | 20.7 |
| 12a (CH3) | 52.7 |
