Spektraris NMR
Meliavolin
Common Name: Meliavolin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H58O10/c1-23(42)49-33-20-30-36(3,4)32(51-35(45)25-13-11-10-12-14-25)21-34(50-24(2)43)40(30,9)29-17-18-38(7)27(15-16-28(38)39(29,33)8)26-19-31(44)41(47,48-22-26)37(5,6)46/h10-14,16,26-27,29-34,44,46-47H,15,17-22H2,1-9H3/t26?,27-,29-,30-,31+,32+,33-,34-,38-,39-,40+,41+/m0/s1
InChIKey: InChIKey=DZAGHRFCGNPSES-MGOJNZMTSA-N
Formula: C41H58O10
Molecular Weight: 710.894785
Exact Mass: 710.402998
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zeng, L., Gu, Z.M., Fang, X.P., Fanwick, P.E., Chang, C.J., Smith, D.L., McLaughlin, J.L. Tetrahedron (1995) 51, 2477-88
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) | 72.7 |
| 2 (CH2) | 25.4 |
| 3 (CH) | 77.1 |
| 4 (C) | 36.5 |
| 5 (CH) | 37.4 |
| 6 (CH2) | 22.8 |
| 7 (CH) | 75.5 |
| 8 (C) | 42 |
| 9 (CH) | 35.3 |
| 10 (C) | 40.2 |
| 11 (CH2) | 16 |
| 12 (CH2) | 34.7 |
| 13 (C) | 46.4 |
| 14 (C) | 158.9 |
| 15 (CH) | 119.3 |
| 16 (CH2) | 33.8 |
| 17 (CH) | 56.9 |
| 18 (CH3) | 20 |
| 19 (CH3) | 16.1 |
| 20 (CH) | 29.2 |
| 21 (CH2) | 65.4 |
| 22 (CH2) | 32.7 |
| 23 (CH) | 67.5 |
| 24 (C) | 95.7 |
| 25 (C) | 76.3 |
| 26 (CH3) | 23.2 |
| 27 (CH3) | 24.1 |
| 28 (CH3) | 28 |
| 29 (CH3) | 21.4 |
| 30 (CH3) | 26.9 |
| 1' (C) | 165.2 |
| 2' (C) | 130.6 |
| 3' (CH) | 129.4 |
| 4' (CH) | 128.2 |
| 5' (CH) | 133 |
| 6' (CH) | 128.2 |
| 7' (CH) | 129.4 |
| 1a (C) | 169.7 |
| 1b (CH3) | 20.9 |
| 7a (C) | 170.1 |
| 7b (CH3) | 21 |
