Spektraris NMR
Cheiradone A
Common Name: Cheiradone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O10/c1-16-14-31(37)22(23(16)39-18(3)33)25(40-26(35)19-10-8-7-9-11-19)30(15-38-17(2)32)21(34)13-12-20-24(30)29(6,27(31)36)41-28(20,4)5/h7-13,16,20-25,34,37H,14-15H2,1-6H3/t16-,20-,21+,22+,23-,24-,25+,29-,30+,31+/m0/s1
InChIKey: InChIKey=YKQQQGZUVJUIOU-CKNCNZGGSA-N
Formula: C31H38O10
Molecular Weight: 570.628611
Exact Mass: 570.246497
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abbas, M., Jassbi, A.R., Zahid, M., Ali, Z., Alam, N., Akhtar, F., Choudhary, M.I., Ahmad, V.U. Helv Chim Acta (2000) 83, 2751-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Myrsinanes; 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) | 45.9 |
| 2 (CH) | 35.9 |
| 3 (CH) | 79 |
| 4 (CH) | 49.4 |
| 5 (CH) | 68.7 |
| 6 (C) | 47.8 |
| 7 (CH) | 65.8 |
| 8 (CH) | 127.1 |
| 9 (CH) | 128.7 |
| 10 (C) | 79.8 |
| 11 (CH) | 46.7 |
| 12 (CH) | 41 |
| 13 (C) | 84.9 |
| 14 (C) | 205.5 |
| 15 (C) | 85.3 |
| 16 (CH3) | 14.7 |
| 17 (CH2) | 60.3 |
| 18 (CH3) | 29.7 |
| 19 (CH3) | 23.1 |
| 20 (CH3) | 24.5 |
| 3a (C) | 170.5 |
| 3b (CH3) | 21.4 |
| 5a (C) | 166 |
| 5b (C) | 129.7 |
| 5c (CH) | 129.3 |
| 5d (CH) | 128.7 |
| 5e (CH) | 133.5 |
| 5f (CH) | 128.7 |
| 5g (CH) | 129.3 |
| 17a (C) | 172.9 |
| 17b (CH3) | 20.6 |
