Spektraris NMR
Annoglabayin
Common Name: Annoglabayin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H62/c1-33(2)15-7-17-35(5)29(33)13-19-37-21-25(9-11-31(35)37)27(23-37)28-24-38-20-14-30-34(3,4)16-8-18-36(30,6)32(38)12-10-26(28)22-38/h25-32H,7-24H2,1-6H3/t25-,26-,27-,28-,29-,30-,31+,32+,35-,36-,37+,38+/m1/s1
InChIKey: InChIKey=MBCJFPLQIQHPRM-XQEMYRGFSA-N
Formula: C38H62
Molecular Weight: 518.900291
Exact Mass: 518.485152
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, C.H., Hsieh, T.J., Liu, T.Z., Chern, C.L., Hsieh, P.Y., Chen, C.Y. J Nat Prod (2004) 67, 1942-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 40.4 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 38.1 |
| 4 (C) | 33.2 |
| 5 (CH) | 56 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 42 |
| 8 (C) | 45.1 |
| 9 (CH) | 56.2 |
| 10 (C) | 39.3 |
| 11 (CH2) | 18.6 |
| 12 (CH2) | 31.3 |
| 13 (CH) | 41.4 |
| 14 (CH2) | 40.9 |
| 15 (CH2) | 44.7 |
| 16 (CH) | 45.3 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 17.4 |
| 1' (CH2) | 40.4 |
| 2' (CH2) | 18.3 |
| 3' (CH2) | 38.1 |
| 4' (C) | 33.2 |
| 5' (CH) | 56 |
| 6' (CH2) | 20.7 |
| 7' (CH2) | 42 |
| 8' (C) | 45.1 |
| 9' (CH) | 56.2 |
| 10' (C) | 39.3 |
| 11' (CH2) | 18.6 |
| 12' (CH2) | 31.3 |
| 13' (CH) | 41.4 |
| 14' (CH2) | 40.9 |
| 15' (CH2) | 44.7 |
| 16' (CH) | 45.3 |
| 18' (CH3) | 33.6 |
| 19' (CH3) | 21.6 |
| 20' (CH3) | 17.4 |
