Spektraris NMR
3a-Acetoxy-6b,L25-dihydroxy-20(S),24(S)-epoxy-dammarane
Common Name: 3a-Acetoxy-6b,L25-dihydroxy-20(S),24(S)-epoxy-dammarane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O5/c1-19(33)36-24-13-15-29(6)23-11-10-20-21(32(9)17-14-25(37-32)28(4,5)35)12-16-30(20,7)31(23,8)18-22(34)26(29)27(24,2)3/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23-,24-,25+,26+,29-,30-,31-,32+/m1/s1
InChIKey: InChIKey=BWPHAKMLBOJTJQ-CMPKMKQCSA-N
Formula: C32H54O5
Molecular Weight: 518.769374
Exact Mass: 518.397125
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nakamura, N., Kojima, S., Lim, Y.A., Meselhy, M.R., Hattori, M., Gupta, M.P., Correa, M. Phytochemistry (1997) 46, 1139-41
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) | 36.4 |
| 2 (CH2) | 22.8 |
| 3 (CH) | 79.7 |
| 4 (C) | 37.6 |
| 5 (CH) | 50.8 |
| 6 (CH) | 68.9 |
| 7 (CH2) | 42.9 |
| 8 (C) | 39.6 |
| 9 (CH) | 51.1 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 27 |
| 13 (CH) | 41.7 |
| 14 (C) | 50.1 |
| 15 (CH2) | 31.5 |
| 16 (CH2) | 25.8 |
| 17 (CH) | 49.7 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 17.4 |
| 20 (C) | 86.6 |
| 21 (CH3) | 27.3 |
| 22 (CH2) | 34.6 |
| 23 (CH2) | 26.3 |
| 24 (CH) | 86.4 |
| 25 (C) | 70.3 |
| 26 (CH3) | 24 |
| 27 (CH3) | 27.8 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 24 |
| 30 (CH3) | 16.8 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.4 |
