Spektraris NMR
Gagunin M
Common Name: Gagunin M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O9/c1-11-13-26(37)42-24-17-35(10)25(43-28(39)15-19(3)4)18-34(9)23(30(35)29(24)20(5)6)16-21(7)31(40)32(41-22(8)36)33(34)44-27(38)14-12-2/h16,19-20,23-25,29-33,40H,11-15,17-18H2,1-10H3/t23-,24+,25+,29+,30+,31+,32+,33-,34-,35+/m1/s1
InChIKey: InChIKey=POQWRACGNLLJCO-GYTSDOFKSA-N
Formula: C35H56O9
Molecular Weight: 620.815083
Exact Mass: 620.392433
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jang, K.H., Jeon, J.E., Ryu, S., Lee, H.S., Oh, K.B., Shin, J. J Nat Prod (2008) 71, 1701-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Homoverrucosanes; 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) | 36.4 |
| 2 (CH) | 138.1 |
| 3 (C) | 131.6 |
| 4 (CH) | 74.4 |
| 5 (CH) | 72.6 |
| 6 (CH) | 78.2 |
| 7 (C) | 44.8 |
| 8 (CH2) | 36.6 |
| 9 (CH) | 74.7 |
| 10 (C) | 44.7 |
| 11 (CH2) | 40.5 |
| 12 (CH) | 76.2 |
| 13 (CH) | 55 |
| 14 (CH) | 52.7 |
| 15 (CH) | 23.9 |
| 16 (CH3) | 22 |
| 17 (CH3) | 23.7 |
| 18 (CH3) | 24 |
| 19 (CH3) | 14.1 |
| 20 (CH3) | 29.2 |
| 5a (C) | 170.1 |
| 5b (CH3) | 21.2 |
| 6a (C) | 172.7 |
| 6b (CH2) | 36.3 |
| 6c (CH2) | 18.4 |
| 6d (CH3) | 13.6 |
| 9a (C) | 173.5 |
| 9b (CH2) | 43.8 |
| 9c (CH) | 36.3 |
| 9d (CH3) | 22.6 |
| 9ca (CH3) | 22.5 |
| 12a (C) | 173 |
| 12b (CH2) | 36.5 |
| 12c (CH2) | 18.5 |
| 12d (CH3) | 13.6 |
