Spektraris NMR
Rubescensin M
Common Name: Rubescensin M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H58O9/c1-19-17-47-29-21(19)7-10-24-23(29)9-11-25-36(24,5)16-14-27(41)37(25,6)18-48-34-38-26-12-8-22-20(2)31(43)39(26,32(22)44)40(46,49-34)33(45)30(38)35(3,4)15-13-28(38)42/h9,21-22,24-34,41-46H,1-2,7-8,10-18H2,3-6H3/t21?,22-,24+,25-,26-,27+,28-,29+,30+,31+,32+,33-,34?,36-,37+,38-,39-,40+/m0/s1
InChIKey: InChIKey=QHCSBRUYDNZPQG-GLKGFRPRSA-N
Formula: C40H58O9
Molecular Weight: 682.884644
Exact Mass: 682.408083
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Han, Q.B., Li, R.T., Zhang, J.X., Sun, H.D. Helv Chim Acta (2004) 87, 1007-15
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) | 37.9 |
| 2 (CH2) | 29.1 |
| 3 (CH) | 73.4 |
| 4 (C) | 42.3 |
| 5 (CH) | 42.5 |
| 6 (CH2) | 23.7 |
| 7 (CH) | 130.8 |
| 8 (C) | 133.7 |
| 9 (CH) | 50.5 |
| 10 (C) | 34.9 |
| 11 (CH2) | 23.3 |
| 12 (CH2) | 27.8 |
| 13 (CH) | 45.3 |
| 14 (CH) | 83.5 |
| 15 (C) | 153.7 |
| 16 (CH2) | 69.2 |
| 17 (CH2) | 103.8 |
| 18 (CH2) | 71.7 |
| 19 (CH3) | 12.5 |
| 20 (CH3) | 15 |
| 1' (CH) | 75.9 |
| 2' (CH2) | 31 |
| 3' (CH2) | 39.3 |
| 4' (C) | 33.6 |
| 5' (CH) | 56.7 |
| 6' (CH) | 71.6 |
| 7' (C) | 101.5 |
| 8' (C) | 52.4 |
| 9' (CH) | 45 |
| 10' (C) | 43.5 |
| 11' (CH2) | 21.6 |
| 12' (CH2) | 33.9 |
| 13' (CH) | 46.4 |
| 14' (CH) | 75.9 |
| 15' (CH) | 73.1 |
| 16' (C) | 161.2 |
| 17' (CH2) | 109 |
| 18' (CH3) | 33.5 |
| 19' (CH3) | 22.3 |
| 20' (CH) | 101.8 |
