Spektraris NMR
(20S,24S)-3beta-Acetoxy-20,24-epoxy-12beta,25-dihydroxydammarane
Common Name: (20S,24S)-3beta-Acetoxy-20,24-epoxy-12beta,25-dihydroxydammarane
Synonyms: (20S,24S)-3beta-Acetoxy-20,24-epoxy-12beta,25-dihydroxydammarane
CAS Registry Number:
InChI: InChI=1S/C32H54O5/c1-19(33)36-24-12-14-29(6)22(27(24,2)3)11-16-30(7)23(29)18-21(34)26-20(10-15-31(26,30)8)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24-,25-,26-,29-,30+,31+,32-/m0/s1
InChIKey: InChIKey=NHBJTOHJGLCSIU-CPBCUCJJSA-N
Formula: C32H54O5
Molecular Weight: 518.769374
Exact Mass: 518.397125
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 (CH2) | 38.6 |
| 2 (CH2) | 23.6 |
| 3 (CH) | 80.7 |
| 4 (C) | 37.8 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 34.7 |
| 8 (C) | 39.7 |
| 9 (CH) | 50.1 |
| 10 (C) | 37 |
| 11 (CH2) | 31.6 |
| 12 (CH) | 70.4 |
| 13 (CH) | 48.8 |
| 14 (C) | 52.1 |
| 15 (CH2) | 32.1 |
| 16 (CH2) | 28.5 |
| 17 (CH) | 48.9 |
| 18 (CH3) | 17.7 |
| 19 (CH3) | 16.3 |
| 20 (C) | 87.3 |
| 21 (CH3) | 28.8 |
| 22 (CH2) | 31.6 |
| 23 (CH2) | 25 |
| 24 (CH) | 87.1 |
| 25 (C) | 70 |
| 26 (CH3) | 28 |
| 27 (CH3) | 24.2 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 16.3 |
| 30 (CH3) | 15.4 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.2 |
