Spektraris NMR
Meliavolkin
Common Name: Meliavolkin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H44O7/c1-22(38)43-28-19-29(44-30(39)14-11-23-9-7-6-8-10-23)37(5)27-15-17-34(2)25(24-16-18-41-20-24)12-13-26(34)36(27,4)33(40)31-32(37)35(28,3)21-42-31/h6-11,13-14,16,18,20,25,27-29,31-33,40H,12,15,17,19,21H2,1-5H3/b14-11+/t25-,27-,28+,29-,31+,32-,33+,34-,35+,36-,37-/m0/s1
InChIKey: InChIKey=URQZJLPVQSJQOL-ISWXVQJLSA-N
Formula: C37H44O7
Molecular Weight: 600.742456
Exact Mass: 600.308704
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) | 72.1 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 71.7 |
| 4 (C) | 42.4 |
| 5 (CH) | 39.6 |
| 6 (CH) | 73.9 |
| 7 (CH) | 72.8 |
| 8 (C) | 45.9 |
| 9 (CH) | 33.5 |
| 10 (C) | 39.5 |
| 11 (CH2) | 15.1 |
| 12 (CH2) | 32.7 |
| 13 (C) | 47.3 |
| 14 (C) | 160.1 |
| 15 (CH) | 120.5 |
| 16 (CH2) | 34.2 |
| 17 (CH) | 51.5 |
| 18 (CH3) | 20.7 |
| 19 (CH3) | 15.3 |
| 20 (C) | 124.3 |
| 21 (CH) | 139.6 |
| 22 (CH) | 110.9 |
| 23 (CH) | 142.4 |
| 28 (CH2) | 77.8 |
| 29 (CH3) | 19.5 |
| 30 (CH3) | 26.3 |
| 1' (C) | 165.4 |
| 2' (CH) | 117.8 |
| 3' (CH) | 145.6 |
| 4' (C) | 124.3 |
| 5' (CH) | 128.9 |
| 6' (CH) | 127.9 |
| 7' (CH) | 130.4 |
| 8' (CH) | 127.9 |
| 9' (CH) | 128.9 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.9 |
