Spektraris NMR
1-acetyl-24-epi-polacandrin
Common Name: 1-acetyl-24-epi-polacandrin
Synonyms: 1-acetyl-24-epi-polacandrin
CAS Registry Number:
InChI: InChI=1S/C32H54O6/c1-18(33)37-25-17-23(35)32(9)21(27(25,2)3)11-14-29(6)22(32)16-20(34)26-19(10-13-30(26,29)7)31(8)15-12-24(38-31)28(4,5)36/h19-26,34-36H,10-17H2,1-9H3/t19-,20+,21-,22-,23+,24+,25+,26-,29+,30+,31-,32-/m0/s1
InChIKey: InChIKey=RBYRZIJOZWZKMC-VZVZPYEJSA-N
Formula: C32H54O6
Molecular Weight: 534.768779
Exact Mass: 534.392039
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Simirgiotis, M.J., Jimenez, C., Rodriguez, J., Giordano, O.S., Tonn, C.E. J Nat Prod (2003) 66, 1586-92
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 (CH) | 75.5 |
| 2 (CH2) | 34.1 |
| 3 (CH) | 78.8 |
| 4 (C) | 36.5 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34.5 |
| 8 (C) | 40.6 |
| 9 (CH) | 51.1 |
| 10 (C) | 43.5 |
| 11 (CH2) | 33.4 |
| 12 (CH) | 71.1 |
| 13 (CH) | 48.8 |
| 14 (C) | 51.8 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 28.4 |
| 17 (CH) | 48.2 |
| 18 (CH3) | 18.2 |
| 19 (CH3) | 11.9 |
| 20 (C) | 86.4 |
| 21 (CH3) | 28 |
| 22 (CH2) | 31.2 |
| 23 (CH2) | 25 |
| 24 (CH) | 85.3 |
| 25 (C) | 70.1 |
| 26 (CH3) | 27.6 |
| 27 (CH3) | 26.1 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 21.5 |
| 30 (CH3) | 15.6 |
| 3a (C) | 170.6 |
| 3b (CH3) | 21.3 |
