Spektraris NMR
3b-Acetoxy-3-deoxo-6R- hydroxycarapin
Common Name: 3b-Acetoxy-3-deoxo-6R- hydroxycarapin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O9/c1-14(30)37-25-17-11-16-18(29(5,23(17)33)22(27(25,2)3)21(32)26(34)35-6)7-9-28(4)19(16)12-20(31)38-24(28)15-8-10-36-13-15/h8,10,12-13,16-18,21-22,24-25,32H,7,9,11H2,1-6H3/t16-,17-,18+,21-,22+,24+,25-,28-,29-/m1/s1
InChIKey: InChIKey=MVOCELQNDZHLNJ-JICGJDQWSA-N
Formula: C29H36O9
Molecular Weight: 528.591853
Exact Mass: 528.235933
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Tchimene, M.K., Tane, P., Ngamga, D., Connolly, J.D., Farrugia, L.J. Phytochemistry (2005) 66, 1088-93
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 (C) | 219.2 |
| 2 (CH) | 47 |
| 3 (CH) | 80.3 |
| 4 (C) | 38.2 |
| 5 (CH) | 44.6 |
| 6 (CH) | 73.1 |
| 7 (C) | 176.2 |
| 8 (CH) | 34.7 |
| 9 (CH) | 49.5 |
| 10 (C) | 51.4 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 26.4 |
| 13 (C) | 38.1 |
| 14 (C) | 165.3 |
| 15 (CH) | 112.5 |
| 16 (C) | 171.2 |
| 17 (CH) | 81.3 |
| 18 (CH3) | 18.3 |
| 19 (CH3) | 16.7 |
| 20 (C) | 119.7 |
| 21 (CH) | 141.1 |
| 22 (CH) | 109.7 |
| 23 (CH) | 143.1 |
| 28 (CH3) | 23.4 |
| 29 (CH3) | 22.8 |
| 30 (CH2) | 35.2 |
| 3a (C) | 170.5 |
| 3b (CH3) | 20.5 |
| 7a (CH3) | 52.8 |
