Spektraris NMR
Dysoxylins A
Common Name: Dysoxylins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H48O10/c1-9-17(2)31(40)45-30-28-29-32(5,16-42-28)24(38)14-26(44-19(4)37)35(29,8)23-13-25(43-18(3)36)33(6)21(20-12-27(39)41-15-20)10-11-22(33)34(23,30)7/h9,11,20-21,23-26,28-30,38H,10,12-16H2,1-8H3/b17-9+/t20?,21-,23-,24+,25-,26-,28+,29-,30+,32+,33-,34-,35-/m0/s1
InChIKey: InChIKey=BWOSIDQQDNBCDB-YODOPNOGSA-N
Formula: C35H48O10
Molecular Weight: 628.750962
Exact Mass: 628.324748
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, J.L., Kernan, M.R., Jolad, S.D., Stoddart, C.A., Bogan, M., Cooper, R. J Nat Prod (2007) 70, 312-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 74 |
| 2 (CH2) | 30.1 |
| 3 (CH) | 70.9 |
| 4 (C) | 43.3 |
| 5 (CH) | 39.9 |
| 6 (CH) | 72.4 |
| 7 (CH) | 73.7 |
| 8 (C) | 44.2 |
| 9 (CH) | 35.3 |
| 10 (C) | 39.3 |
| 11 (CH2) | 25 |
| 12 (CH) | 77.6 |
| 13 (C) | 51.1 |
| 14 (C) | 154.9 |
| 15 (CH) | 123 |
| 16 (CH2) | 35.3 |
| 17 (CH) | 56 |
| 18 (CH3) | 15.3 |
| 19 (CH3) | 15 |
| 20 (CH) | 37.6 |
| 21 (CH2) | 73.1 |
| 22 (CH2) | 34 |
| 23 (C) | 176.3 |
| 28 (CH2) | 77.9 |
| 29 (CH3) | 19.6 |
| 30 (CH3) | 26.6 |
| 1a (C) | 168.9 |
| 1b (CH3) | 21.26 |
| 7a (C) | 165.6 |
| 7b (C) | 128.5 |
| 7c (CH) | 137.5 |
| 7d (CH3) | 14.4 |
| 7ba (CH3) | 12.1 |
| 12a (C) | 170.2 |
| 12b (CH3) | 21.6 |
