Spektraris NMR
Depressoside A
Common Name: Depressoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H60O9/c1-18(20-14-24(39)32(4,5)45-20)26-19(38)15-34(7)23-9-8-22-31(2,3)25(44-30-29(42)28(41)27(40)21(16-37)43-30)10-11-35(22)17-36(23,35)13-12-33(26,34)6/h18-30,37-42H,8-17H2,1-7H3/t18-,19+,20-,21-,22+,23+,24+,25+,26-,27-,28+,29-,30+,33-,34+,35-,36+/m1/s1
InChIKey: InChIKey=ZCLRRHPKFWIDME-QBVNREKBSA-N
Formula: C36H60O9
Molecular Weight: 636.857582
Exact Mass: 636.423734
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ahmad, V.U., Ali, A., Ali, Z., Baqai, F.T., Zafar, F.N. Phytochemistry (1998) 49, 829-34
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 33.1 |
| 2 (CH2) | 30.5 |
| 3 (CH) | 91.02 |
| 4 (C) | 42.05 |
| 5 (CH) | 48.88 |
| 6 (CH2) | 22.07 |
| 7 (CH2) | 27.2 |
| 8 (CH) | 49.64 |
| 9 (C) | 21.08 |
| 10 (C) | 27.44 |
| 11 (CH2) | 27.31 |
| 12 (CH2) | 34.37 |
| 13 (C) | 49.9 |
| 14 (C) | 47.91 |
| 15 (CH2) | 47.65 |
| 16 (CH) | 73.04 |
| 17 (CH) | 52.94 |
| 18 (CH3) | 19.42 |
| 19 (CH2) | 31.01 |
| 20 (CH) | 33.37 |
| 21 (CH3) | 15.9 |
| 22 (CH) | 80.9 |
| 23 (CH2) | 36.27 |
| 24 (CH) | 78.3 |
| 25 (C) | 84 |
| 26 (CH3) | 26 |
| 27 (CH3) | 23.08 |
| 28 (CH3) | 26.14 |
| 29 (CH3) | 15.48 |
| 30 (CH3) | 20.42 |
| 1' (CH) | 104.16 |
| 2' (CH) | 81.77 |
| 3' (CH) | 77.73 |
| 4' (CH) | 71.64 |
| 5' (CH) | 77.11 |
| 6' (CH2) | 62.63 |
