Spektraris NMR
3-Acetoxy-Dammaradienol
Common Name: 3-Acetoxy-Dammaradienol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-31(8)25(24)13-14-27-30(7)18-17-28(34-23(4)33)29(5,6)26(30)16-20-32(27,31)9/h11,24-28H,3,10,12-20H2,1-2,4-9H3/t24-,25-,26+,27-,28+,30+,31-,32-/m1/s1
InChIKey: InChIKey=CRWQCIAHDTXLKB-DWKUDBNXSA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
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) | 37.9 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 80.9 |
| 4 (C) | 38.8 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 35.4 |
| 8 (C) | 40.5 |
| 9 (CH) | 50.9 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 25 |
| 13 (CH) | 45.3 |
| 14 (C) | 49.5 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 27.1 |
| 17 (CH) | 47.9 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 15.7 |
| 20 (C) | 152.7 |
| 21 (CH2) | 107.5 |
| 22 (CH2) | 34.2 |
| 23 (CH2) | 28.9 |
| 24 (CH) | 124.5 |
| 25 (C) | 131.4 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 28 |
| 29 (CH3) | 15.9 |
| 30 (CH3) | 16.5 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.3 |
