Spektraris NMR
Helixoside A
Common Name: Helixoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C54H88O24/c1-49(2)13-15-54(48(70)78-46-42(69)38(65)35(62)28(75-46)21-71-44-40(67)36(63)32(59)25(18-55)72-44)16-14-52(5)23(24(54)17-49)7-8-30-50(3)11-10-31(51(4,22-58)29(50)9-12-53(30,52)6)76-47-43(39(66)34(61)27(20-57)74-47)77-45-41(68)37(64)33(60)26(19-56)73-45/h7,24-47,55-69H,8-22H2,1-6H3/t24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45-,46-,47-,50-,51-,52+,53+,54-/m0/s1
InChIKey: InChIKey=VKICMPRVQHZPRV-RTCRAJIBSA-N
Formula: C54H88O24
Molecular Weight: 1121.264243
Exact Mass: 1120.566554
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Bedir, E., Kirmizipekmez, H., Sticher, O., Calis, I. Phytochemistry (2000) 53, 905-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 39.59 |
| 2 (CH2) | 26.35 |
| 3 (CH) | 84.2 |
| 4 (C) | 44.1 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 33.35 |
| 8 (C) | 40.69 |
| 9 (CH) | 49.3 |
| 10 (C) | 37.65 |
| 11 (CH2) | 24.6 |
| 12 (CH) | 123.75 |
| 13 (C) | 144.96 |
| 14 (C) | 43.02 |
| 15 (CH2) | 28.93 |
| 16 (CH2) | 24.05 |
| 17 (C) | 48.8 |
| 18 (CH) | 42.56 |
| 19 (CH2) | 47.27 |
| 20 (C) | 31.53 |
| 21 (CH2) | 34.88 |
| 22 (CH2) | 33.22 |
| 23 (CH2) | 64.89 |
| 24 (CH3) | 13.36 |
| 25 (CH3) | 16.54 |
| 26 (CH3) | 17.88 |
| 27 (CH3) | 26.49 |
| 28 (C) | 178.2 |
| 29 (CH3) | 33.49 |
| 30 (CH3) | 24.05 |
| 1' (CH) | 104.49 |
| 2' (CH) | 81.51 |
| 3' (CH) | 77.66 |
| 4' (CH) | 71.73 |
| 5' (CH) | 78.33 |
| 6' (CH2) | 62.75 |
| 1'' (CH) | 104.44 |
| 2'' (CH) | 76.19 |
| 3'' (CH) | 77.85 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 78.52 |
| 6'' (CH2) | 62.97 |
| 1''' (CH) | 95.76 |
| 2''' (CH) | 73.85 |
| 3''' (CH) | 78 |
| 4''' (CH) | 70.97 |
| 5''' (CH) | 77.85 |
| 6''' (CH2) | 69.52 |
| 1'''' (CH) | 104.64 |
| 2'''' (CH) | 75.13 |
| 3'''' (CH) | 77.85 |
| 4'''' (CH) | 71.55 |
| 5'''' (CH) | 78 |
| 6'''' (CH2) | 62.75 |
