Spektraris NMR
(20S)-3beta-Acetoxy-16beta,20,25-trihydroxydammara-23-ene
Common Name: (20S)-3beta-Acetoxy-16beta,20,25-trihydroxydammara-23-ene
Synonyms: (20S)-3beta-Acetoxy-16beta,20,25-trihydroxydammara-23-ene
CAS Registry Number:
InChI: InChI=1S/C32H54O5/c1-20(33)37-25-14-17-29(6)23(28(25,4)5)13-18-30(7)24(29)12-11-21-26(22(34)19-31(21,30)8)32(9,36)16-10-15-27(2,3)35/h10,15,21-26,34-36H,11-14,16-19H2,1-9H3/b15-10+/t21-,22+,23+,24-,25+,26-,29+,30-,31-,32+/m1/s1
InChIKey: InChIKey=WEADQAQJBYIEMI-YNGWVZRPSA-N
Formula: C32H54O5
Molecular Weight: 518.769374
Exact Mass: 518.397125
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Manguro, L.O., Ugi, I., Hermann, R., Lemmen, P Phytochemistry (2003) 63, 497-502
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) | 39.1 |
| 2 (CH2) | 30.5 |
| 3 (CH) | 76.4 |
| 4 (C) | 39.6 |
| 5 (CH) | 56 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 34.7 |
| 8 (C) | 40.6 |
| 9 (CH) | 50.5 |
| 10 (C) | 37 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 26.8 |
| 13 (CH) | 49 |
| 14 (C) | 50.3 |
| 15 (CH2) | 41 |
| 16 (CH) | 74.4 |
| 17 (CH) | 41.7 |
| 18 (CH3) | 18.3 |
| 19 (CH3) | 15.8 |
| 20 (C) | 77.3 |
| 21 (CH3) | 26.3 |
| 22 (CH2) | 35.2 |
| 23 (CH) | 127.6 |
| 24 (CH) | 140.3 |
| 25 (C) | 81.3 |
| 26 (CH3) | 26.3 |
| 27 (CH3) | 24.8 |
| 28 (CH3) | 21.5 |
| 29 (CH3) | 15.2 |
| 30 (CH3) | 17.7 |
| 3a (C) | 170.4 |
| 3b (CH3) | 21 |
