Spektraris NMR
3a-O-acetyl-20,24,25-trihydroxydammarane
Common Name: 3a-O-acetyl-20,24,25-trihydroxydammarane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H56O5/c1-20(33)37-26-15-16-29(6)23(27(26,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9,36)19-14-25(34)28(4,5)35/h21-26,34-36H,10-19H2,1-9H3/t21-,22+,23+,24-,25?,26-,29+,30-,31-,32?/m1/s1
InChIKey: InChIKey=BMJMMZGRUMCVAQ-KFPQNLBNSA-N
Formula: C32H56O5
Molecular Weight: 520.785256
Exact Mass: 520.412775
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Thoison O., Sevenet T., Niemeyer H.M., Russell G.B. Phytochemistry (2004) 65, 2173-6
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) | 35.1 |
| 2 (CH2) | 26 |
| 3 (CH) | 78.6 |
| 4 (C) | 37.5 |
| 5 (CH) | 51.8 |
| 6 (CH2) | 19 |
| 7 (CH2) | 36 |
| 8 (C) | 41.4 |
| 9 (CH) | 51.5 |
| 10 (C) | 37.9 |
| 11 (CH2) | 22.3 |
| 12 (CH2) | 24.5 |
| 13 (CH) | 43.1 |
| 14 (C) | 51.2 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 28.8 |
| 17 (CH) | 51.4 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 17 |
| 20 (C) | 75 |
| 21 (CH3) | 26.7 |
| 22 (CH2) | 39.8 |
| 23 (CH2) | 27.3 |
| 24 (CH) | 80.5 |
| 25 (C) | 73.3 |
| 26 (CH3) | 26.4 |
| 27 (CH3) | 26.7 |
| 28 (CH3) | 22.4 |
| 29 (CH3) | 28.6 |
| 30 (CH3) | 17.4 |
| 3a (C) | 170.4 |
| 3b (CH3) | 21.7 |
