Spektraris NMR
Ailexcelone
Common Name: Ailexcelone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h9,20-23,25,32-33H,10-18H2,1-8H3/b19-9-/t20-,21-,22+,23-,25+,28+,29-,30-/m1/s1
InChIKey: InChIKey=MUJGZFFUUPYEOG-KGFRIQJSSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Srinivas, P.V., Rao, R.R., Rao, J.M. Chem Biodivers (2006) 3, 930-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 38.51 |
| 2 (CH2) | 34.92 |
| 3 (C) | 217.12 |
| 4 (C) | 47.88 |
| 5 (CH) | 53.01 |
| 6 (CH2) | 21.59 |
| 7 (CH2) | 33.35 |
| 8 (C) | 34.99 |
| 9 (CH) | 51.15 |
| 10 (C) | 36.45 |
| 11 (CH2) | 21.98 |
| 12 (CH2) | 33.64 |
| 13 (CH) | 52.31 |
| 14 (C) | 43.47 |
| 15 (CH2) | 34.01 |
| 16 (CH2) | 28.17 |
| 17 (CH) | 48.44 |
| 18 (CH3) | 18.27 |
| 19 (CH3) | 18.52 |
| 20 (C) | 145.92 |
| 21 (CH3) | 24.52 |
| 22 (CH) | 117.81 |
| 23 (CH2) | 23.15 |
| 24 (CH) | 79.57 |
| 25 (C) | 73.24 |
| 26 (CH3) | 26.52 |
| 27 (CH3) | 28.81 |
| 28 (CH3) | 24.34 |
| 29 (CH3) | 27.42 |
| 30 (CH3) | 12.78 |
