Spektraris NMR
3-Acetoxy-Dammarenediol
Common Name: 3-Acetoxy-Dammarenediol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O3/c1-21(2)11-10-17-32(9,34)24-14-19-30(7)23(24)12-13-26-29(6)18-16-27(35-22(3)33)28(4,5)25(29)15-20-31(26,30)8/h11,23-27,34H,10,12-20H2,1-9H3/t23-,24+,25+,26-,27+,29+,30-,31-,32+/m1/s1
InChIKey: InChIKey=QSUGODIDPUGIFV-UIODCXNPSA-N
Formula: C32H54O3
Molecular Weight: 486.770564
Exact Mass: 486.407296
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bianchini J.-P., Gaydou E.M., Rafaralahitsimba G., Waegell B., Zahra J.-P Phytochemistry (1988) 27, 2301-2304
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) | 38.1 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 81.2 |
| 4 (C) | 38.9 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 35.3 |
| 8 (C) | 40.6 |
| 9 (CH) | 50.8 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 25.5 |
| 13 (CH) | 42.5 |
| 14 (C) | 50.5 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 50 |
| 18 (CH3) | 16.5 |
| 19 (CH3) | 15.8 |
| 20 (C) | 75.6 |
| 21 (CH3) | 24.9 |
| 22 (CH2) | 40.7 |
| 23 (CH2) | 22.7 |
| 24 (CH) | 125.2 |
| 25 (C) | 131.9 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 17.8 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 15.6 |
| 30 (CH3) | 16.5 |
| 3a (C) | 171.4 |
| 3b (CH3) | 21.3 |
