Spektraris NMR
21a -Methylmelianodiol
Common Name: 21a -Methylmelianodiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)32)12-16-30(6)19(11-15-31(21,30)7)18-17-22(36-26(18)35-8)25(33)28(3,4)34/h9,18-20,22-23,25-26,33-34H,10-17H2,1-8H3/t18?,19-,20-,22+,23-,25+,26+,29+,30-,31+/m0/s1
InChIKey: InChIKey=NYUZBOBAGWNMHW-RTDTYZNUSA-N
Formula: C31H50O5
Molecular Weight: 502.726875
Exact Mass: 502.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, G.H., Kim, J.A., Kim, S.Y., Ryu, J.C., Kim, Y.S., Jung, S.H., Kim, M.K., Lee, S.H. Chem Pharm Bull (2008) 56, 839-42
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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 (CH2) | 38.47 |
| 2 (CH2) | 35.06 |
| 3 (C) | 216.9 |
| 4 (C) | 47.86 |
| 5 (CH) | 52.32 |
| 6 (CH2) | 24.32 |
| 7 (CH) | 118.1 |
| 8 (C) | 145.5 |
| 9 (CH) | 48.26 |
| 10 (C) | 34.89 |
| 11 (CH2) | 17.74 |
| 12 (CH2) | 31.48 |
| 13 (C) | 43.6 |
| 14 (C) | 50.94 |
| 15 (CH2) | 34.31 |
| 16 (CH2) | 27.38 |
| 17 (CH) | 50.27 |
| 18 (CH3) | 22.58 |
| 19 (CH3) | 12.71 |
| 20 (CH) | 47.67 |
| 21 (CH) | 108.9 |
| 22 (CH2) | 33.76 |
| 23 (CH) | 76.72 |
| 24 (CH) | 75.34 |
| 25 (C) | 73.09 |
| 26 (CH3) | 26.33 |
| 27 (CH3) | 26.43 |
| 28 (CH3) | 24.46 |
| 29 (CH3) | 21.55 |
| 30 (CH3) | 27.26 |
| 21a (CH3) | 55.62 |
