Spektraris NMR
Torvoside H
Common Name: Torvoside H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C45H74O18/c1-18(17-57-40-36(53)35(52)33(50)29(16-46)61-40)7-12-45(56)19(2)30-28(63-45)15-25-23-14-27(26-13-22(47)8-10-43(26,5)24(23)9-11-44(25,30)6)60-42-38(55)39(32(49)21(4)59-42)62-41-37(54)34(51)31(48)20(3)58-41/h18-21,23-42,46,48-56H,7-17H2,1-6H3/t18-,19-,20+,21+,23+,24-,25-,26+,27-,28-,29+,30-,31+,32+,33+,34-,35-,36+,37-,38+,39-,40+,41-,42-,43+,44-,45+/m0/s1
InChIKey: InChIKey=DPXGNIHBGKCXMA-DKWRNTDOSA-N
Formula: C45H74O18
Molecular Weight: 903.06002
Exact Mass: 902.487516
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Arthan, D., Svasti, J., Kittakoop, P., Pittayakhachonwut, D., Tanticharoen, M., Thebtaranonth, Y. Phytochemistry (2002) 59, 459-63
Species:
Notes: Family : Steroids, Type : Spirostanes; 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) | 38.7 |
| 2 (CH2) | 38.1 |
| 3 (C) | 210.7 |
| 4 (CH2) | 39.8 |
| 5 (CH) | 52.4 |
| 6 (CH) | 79.9 |
| 7 (CH2) | 41 |
| 8 (CH) | 34.5 |
| 9 (CH) | 53.2 |
| 10 (C) | 36.7 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 39.7 |
| 13 (C) | 41.1 |
| 14 (CH) | 56 |
| 15 (CH2) | 32.1 |
| 16 (CH) | 81.2 |
| 17 (CH) | 64.2 |
| 18 (CH3) | 12.6 |
| 19 (CH3) | 16.5 |
| 20 (CH) | 40.5 |
| 21 (CH3) | 16.3 |
| 22 (C) | 112.6 |
| 23 (CH2) | 30.9 |
| 24 (CH2) | 28.2 |
| 25 (CH) | 33.9 |
| 26 (CH2) | 75 |
| 27 (CH3) | 17.6 |
| 1' (CH) | 105.1 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 105.6 |
| 2'' (CH) | 75.9 |
| 3'' (CH) | 83.7 |
| 4'' (CH) | 75.1 |
| 5'' (CH) | 72.7 |
| 6'' (CH3) | 18.8 |
| 1''' (CH) | 103.3 |
| 2''' (CH) | 72.5 |
| 3''' (CH) | 72.7 |
| 4''' (CH) | 74.1 |
| 5''' (CH) | 70 |
| 6''' (CH3) | 18.6 |
