Spektraris NMR
M-7
Common Name: M-7
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O10S2/c1-12-4-7-16-19(2,9-8-17(20(16,3)11-21)30-32(26,27)28)14(12)6-5-13-15(31(23,24)25)10-29-18(13)22/h5,14-17,21H,1,4,6-11H2,2-3H3,(H,23,24,25)(H,26,27,28)/b13-5-/t14-,15?,16+,17-,19+,20+/m1/s1
InChIKey: InChIKey=GIOODRZBWUVFLR-OTVACULJSA-N
Formula: C20H30O10S2
Molecular Weight: 494.579159
Exact Mass: 494.128039
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) | 44.4 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 25.8 |
| 7 (CH2) | 38.9 |
| 8 (C) | 148.6 |
| 9 (CH) | 57.2 |
| 10 (C) | 39.9 |
| 11 (CH2) | 26.4 |
| 12 (CH) | 148.6 |
| 13 (C) | 124.2 |
| 14 (CH) | 58.8 |
| 15 (CH2) | 69.4 |
| 16 (C) | 173.2 |
| 17 (CH2) | 109.2 |
| 18 (CH3) | 23.1 |
| 19 (CH2) | 63.6 |
| 20 (CH3) | 15 |
