Spektraris NMR
(20S,24S)-3beta,12beta-Diacetoxy-20,24-epoxy-25-hydroxydammarane
Common Name: (20S,24S)-3beta,12beta-Diacetoxy-20,24-epoxy-25-hydroxydammarane
Synonyms: (20S,24S)-3beta,12beta-Diacetoxy-20,24-epoxy-25-hydroxydammarane
CAS Registry Number:
InChI: InChI=1S/C34H56O6/c1-20(35)38-23-19-25-31(7)15-13-26(39-21(2)36)29(3,4)24(31)12-17-32(25,8)33(9)16-11-22(28(23)33)34(10)18-14-27(40-34)30(5,6)37/h22-28,37H,11-19H2,1-10H3/t22-,23+,24-,25+,26-,27-,28-,31-,32+,33+,34-/m0/s1
InChIKey: InChIKey=MRCMHQPBXBYCBW-ZCGSHCRLSA-N
Formula: C34H56O6
Molecular Weight: 560.806132
Exact Mass: 560.40769
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) | 39.5 |
| 2 (CH2) | 23.5 |
| 3 (CH) | 80.5 |
| 4 (C) | 37.8 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18 |
| 7 (CH2) | 34.3 |
| 8 (C) | 39.7 |
| 9 (CH) | 50.1 |
| 10 (C) | 37 |
| 11 (CH2) | 28.3 |
| 12 (CH) | 75.4 |
| 13 (CH) | 46.3 |
| 14 (C) | 52.3 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 25.6 |
| 17 (CH) | 49.6 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 16 |
| 20 (C) | 85.4 |
| 21 (CH3) | 27.9 |
| 22 (CH2) | 38.4 |
| 23 (CH2) | 26.8 |
| 24 (CH) | 84.5 |
| 25 (C) | 70.4 |
| 26 (CH3) | 27.6 |
| 27 (CH3) | 24 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 15.5 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.8 |
| 12a (C) | 170.4 |
| 12b (CH3) | 21.2 |
