Spektraris NMR
3a-20,24,25-tetrahydroxydammarane
Common Name: 3a-20,24,25-tetrahydroxydammarane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H54O4/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8,34)18-14-24(32)26(3,4)33/h19-24,31-34H,9-18H2,1-8H3/t19-,20+,21+,22-,23-,24?,27+,28-,29-,30?/m1/s1
InChIKey: InChIKey=PLCBDPWYPHVDDN-TXRGSYKRSA-N
Formula: C30H54O4
Molecular Weight: 478.748497
Exact Mass: 478.40221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Thoison O., Sevenet T., Niemeyer H.M., Russell G.B. Phytochemistry (2004) 65, 2173-6
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) | 35 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 76.1 |
| 4 (C) | 38.7 |
| 5 (CH) | 51.5 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 36.3 |
| 8 (C) | 41.5 |
| 9 (CH) | 51.7 |
| 10 (C) | 38.2 |
| 11 (CH2) | 22.4 |
| 12 (CH2) | 26 |
| 13 (CH) | 43.3 |
| 14 (C) | 51.2 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 28.7 |
| 17 (CH) | 51.3 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 17.3 |
| 20 (C) | 75 |
| 21 (CH3) | 27 |
| 22 (CH2) | 40 |
| 23 (CH2) | 27.1 |
| 24 (CH) | 80.5 |
| 25 (C) | 73.4 |
| 26 (CH3) | 26.3 |
| 27 (CH3) | 27 |
| 28 (CH3) | 23.2 |
| 29 (CH3) | 30 |
| 30 (CH3) | 18.2 |
