Spektraris NMR
(20S,24S)-3beta,12beta,25-Triacetoxy-20,24-epoxydammarane
Common Name: (20S,24S)-3beta,12beta,25-Triacetoxy-20,24-epoxydammarane
Synonyms: (20S,24S)-3beta,12beta,25-Triacetoxy-20,24-epoxydammarane
CAS Registry Number:
InChI: InChI=1S/C36H58O7/c1-21(37)40-25-20-27-33(8)16-14-28(41-22(2)38)31(4,5)26(33)13-18-34(27,9)35(10)17-12-24(30(25)35)36(11)19-15-29(43-36)32(6,7)42-23(3)39/h24-30H,12-20H2,1-11H3/t24-,25+,26-,27+,28-,29-,30-,33-,34+,35+,36-/m0/s1
InChIKey: InChIKey=JJKXJKWBBZVYDH-MXUALRLVSA-N
Formula: C36H58O7
Molecular Weight: 602.842891
Exact Mass: 602.418254
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) | 39.1 |
| 2 (CH2) | 23.5 |
| 3 (CH) | 80.6 |
| 4 (C) | 37.8 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18 |
| 7 (CH2) | 34.4 |
| 8 (C) | 39.5 |
| 9 (CH) | 49.7 |
| 10 (C) | 37 |
| 11 (CH2) | 28.3 |
| 12 (CH) | 75.5 |
| 13 (CH) | 46.3 |
| 14 (C) | 52.3 |
| 15 (CH2) | 30.9 |
| 16 (CH2) | 27.1 |
| 17 (CH) | 49.6 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 16 |
| 20 (C) | 85.5 |
| 21 (CH3) | 27.9 |
| 22 (CH2) | 38.4 |
| 23 (CH2) | 25.5 |
| 24 (CH) | 82.7 |
| 25 (C) | 82.7 |
| 26 (CH3) | 22.4 |
| 27 (CH3) | 22.5 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 15.5 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.8 |
| 12a (C) | 170.4 |
| 12b (CH3) | 21.2 |
| 25a (C) | 170.4 |
| 25b (CH3) | 21.5 |
