Spektraris NMR
Maytenone
Common Name: Maytenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H60O4/c1-22(2)39(43)28(41)21-27-36(9)18-11-16-35(7,8)26(36)15-20-38(27)31-29-24(30(32(38)39)40(44,23(3)4)33(31)42)13-14-25-34(5,6)17-12-19-37(25,29)10/h21-23,25-26,30-32,43-44H,11-20H2,1-10H3/t25-,26-,30?,31?,32+,36-,37-,38-,39-,40+/m0/s1
InChIKey: InChIKey=XIBQGXZPEAWMMS-FIOCZBQRSA-N
Formula: C40H60O4
Molecular Weight: 604.903501
Exact Mass: 604.44916
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Clarkson, C., Staerk, D., Hansen, S.H., Smith, P.J., Jaroszewski, J.W. J Nat Prod (2006) 69, 1280-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 37 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 41.8 |
| 4 (C) | 34 |
| 5 (CH) | 43 |
| 6 (CH2) | 16.4 |
| 7 (CH2) | 30.9 |
| 8 (C) | 48.4 |
| 9 (C) | 172.6 |
| 10 (C) | 42 |
| 11 (CH) | 120 |
| 12 (C) | 200.6 |
| 13 (C) | 78.7 |
| 14 (CH) | 43.3 |
| 15 (CH) | 37 |
| 16 (CH3) | 15.4 |
| 17 (CH3) | 16.2 |
| 18 (CH3) | 32.9 |
| 19 (CH3) | 21.1 |
| 20 (CH3) | 26.5 |
| 1' (CH2) | 36.2 |
| 2' (CH2) | 18.4 |
| 3' (CH2) | 41.6 |
| 4' (C) | 33.1 |
| 5' (CH) | 49.2 |
| 6' (CH2) | 18.6 |
| 7' (CH2) | 29.4 |
| 8' (C) | 138.6 |
| 9' (C) | 138.5 |
| 10' (C) | 37.3 |
| 11' (CH) | 57.8 |
| 12' (C) | 213.4 |
| 13' (C) | 76.1 |
| 14' (CH) | 45 |
| 15' (CH) | 34.6 |
| 16' (CH3) | 17 |
| 17' (CH3) | 17.6 |
| 18' (CH3) | 33 |
| 19' (CH3) | 21.3 |
| 20' (CH3) | 20.8 |
