Spektraris NMR
Meliacinanhydride
Common Name: Meliacinanhydride
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O10/c1-14(32)39-25-21(36)23-28(3,4)19(34)11-12-29(23,5)24-22(38-8)26(40-15(2)33)30(6)17(9-10-18(30)31(24,25)7)16-13-20(35)41-27(16)37/h10-13,17,21-26,36H,9H2,1-8H3/t17-,21+,22-,23-,24+,25+,26-,29-,30-,31-/m0/s1
InChIKey: InChIKey=JSXJRQVDHPCREN-ZMPYTHIGSA-N
Formula: C31H38O10
Molecular Weight: 570.628611
Exact Mass: 570.246497
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui, B.S., Afshan, F., Gulzar, T., Hanif, M. Phytochemistry (2004) 65, 2363-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Apotirucallanes; 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) | 156.8 |
| 2 (CH) | 125.9 |
| 3 (C) | 203.5 |
| 4 (C) | 44.2 |
| 5 (CH) | 49 |
| 6 (CH) | 68.5 |
| 7 (CH) | 81.4 |
| 8 (C) | 43.6 |
| 9 (CH) | 37.7 |
| 10 (C) | 40.8 |
| 11 (CH) | 77.8 |
| 12 (CH) | 65.5 |
| 13 (C) | 54.8 |
| 14 (C) | 158.2 |
| 15 (CH) | 119.5 |
| 16 (CH2) | 32.9 |
| 17 (CH) | 51.4 |
| 18 (CH3) | 21.1 |
| 19 (CH3) | 21.8 |
| 20 (C) | 153 |
| 21 (C) | 171.3 |
| 22 (CH) | 134 |
| 23 (C) | 169.6 |
| 28 (CH3) | 22.3 |
| 29 (CH3) | 19.5 |
| 30 (CH3) | 28.2 |
| 7a (C) | 170 |
| 7b (CH3) | 18.9 |
| 11a (CH3) | 52.8 |
| 12a (C) | 169.6 |
| 12b (CH3) | 20 |
