Spektraris NMR
M-5
Common Name: M-5
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O11S2/c1-12-4-5-16-19(2,8-6-17(20(16,3)11-21)31-33(26,27)28)14(12)10-15(30-32(23,24)25)13-7-9-29-18(13)22/h7,14-17,21H,1,4-6,8-11H2,2-3H3,(H,23,24,25)(H,26,27,28)/t14-,15+,16-,17-,19+,20+/m1/s1
InChIKey: InChIKey=GIOODOBKZXPHFS-SCNSOLTMSA-N
Formula: C20H30O11S2
Molecular Weight: 510.578564
Exact Mass: 510.122953
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - He, X., Li, J., Gao, H., Qiu, F., Cui, X., Yao, X. Chem Pharm Bull (2003) 51, 586-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 38 |
| 2 (CH2) | 25.5 |
| 3 (CH) | 88.2 |
| 4 (C) | 44.3 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 25.7 |
| 7 (CH2) | 39.1 |
| 8 (C) | 148.1 |
| 9 (CH) | 54.2 |
| 10 (C) | 39.8 |
| 11 (CH2) | 27.4 |
| 12 (CH) | 55.8 |
| 13 (C) | 131.3 |
| 14 (CH) | 151.7 |
| 15 (CH2) | 72.7 |
| 16 (C) | 176.7 |
| 17 (CH2) | 108.4 |
| 18 (CH3) | 23.1 |
| 19 (CH2) | 63.5 |
| 20 (CH3) | 15.1 |
