Spektraris NMR
Shizukaol P
Common Name: Shizukaol P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H44O14/c1-15-8-26(43)53-14-39(49)22-10-21(22)37(3)23(39)11-20-18(13-52-25(42)7-6-24(41)51-12-15)36(48)54-40(20)30-27(16(2)35(47)50-5)32(45)34(46)38(4)19-9-17(19)28(29(30)38)31(44)33(37)40/h8,17,19,21-23,30-31,33-34,44,46,49H,6-7,9-14H2,1-5H3/b15-8+,27-16-/t17-,19+,21+,22-,23+,30-,31+,33-,34-,37-,38-,39-,40+/m0/s1
InChIKey: InChIKey=XUMNAHFUIBEFRS-WBTKOVPWSA-N
Formula: C40H44O14
Molecular Weight: 748.770498
Exact Mass: 748.273106
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.C., Wang, L.L., Ouyang, X.W., Ma, S.P., Liu, J.H., Hu, L.H. Helv Chim Acta (2009) 92, 313-20
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) | 25.9 |
| 2 (CH2) | 16.5 |
| 3 (CH) | 23.6 |
| 4 (C) | 145 |
| 5 (C) | 137.4 |
| 6 (CH) | 41.5 |
| 7 (C) | 130.3 |
| 8 (C) | 199.8 |
| 9 (CH) | 79.5 |
| 10 (C) | 51.4 |
| 11 (C) | 147.9 |
| 12 (C) | 170.1 |
| 13 (CH3) | 23.6 |
| 14 (CH3) | 15.2 |
| 15 (CH) | 65.2 |
| 1' (CH) | 25.6 |
| 2' (CH2) | 11.6 |
| 3' (CH) | 27.5 |
| 4' (C) | 77.3 |
| 5' (CH) | 59.1 |
| 6' (CH2) | 24.4 |
| 7' (C) | 173.1 |
| 8' (C) | 92.1 |
| 9' (CH) | 61.8 |
| 10' (C) | 43.8 |
| 11' (C) | 123.6 |
| 12' (C) | 170.9 |
| 13' (CH2) | 55.1 |
| 14' (CH3) | 25.9 |
| 15' (CH2) | 71 |
| 1'' (C) | 166.1 |
| 2'' (CH) | 112.7 |
| 3'' (C) | 154.1 |
| 4'' (CH2) | 65.5 |
| 5'' (CH3) | 15.6 |
| 6'' (C) | 171.6 |
| 7'' (CH2) | 29 |
| 8'' (CH2) | 28.9 |
| 9'' (C) | 171.9 |
| 12a (CH3) | 52.5 |
