Spektraris NMR
Helixoside B
Common Name: Helixoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-42(68)38(64)35(61)28(74-46)22-70-44-40(66)36(62)32(58)25(19-55)71-44)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)75-47-43(39(65)34(60)27(21-57)73-47)76-45-41(67)37(63)33(59)26(20-56)72-45/h8,24-47,55-68H,9-22H2,1-7H3/t24-,25+,26+,27+,28+,29-,30+,31-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45-,46-,47-,51-,52+,53+,54-/m0/s1
InChIKey: InChIKey=YPIHCZNMLNJVSW-NMEUZNJHSA-N
Formula: C54H88O23
Molecular Weight: 1105.264838
Exact Mass: 1104.571639
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) | 39.88 |
| 2 (CH2) | 27.12 |
| 3 (CH) | 91.51 |
| 4 (C) | 40.4 |
| 5 (CH) | 57.07 |
| 6 (CH2) | 19.35 |
| 7 (CH2) | 33.22 |
| 8 (C) | 40.73 |
| 9 (CH) | 49.44 |
| 10 (C) | 37.89 |
| 11 (CH2) | 24.59 |
| 12 (CH) | 123.79 |
| 13 (C) | 144.88 |
| 14 (C) | 42.93 |
| 15 (CH2) | 28.93 |
| 16 (CH2) | 24.06 |
| 17 (C) | 49 |
| 18 (CH) | 42.56 |
| 19 (CH2) | 47.26 |
| 20 (C) | 31.54 |
| 21 (CH2) | 34.89 |
| 22 (CH2) | 33.96 |
| 23 (CH3) | 28.49 |
| 24 (CH3) | 16.93 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 17.83 |
| 27 (CH3) | 26.3 |
| 28 (C) | 178.01 |
| 29 (CH3) | 33.5 |
| 30 (CH3) | 24.06 |
| 1' (CH) | 105.42 |
| 2' (CH) | 81.11 |
| 3' (CH) | 77.67 |
| 4' (CH) | 71.92 |
| 5' (CH) | 78.33 |
| 6' (CH2) | 63.12 |
| 1'' (CH) | 104.51 |
| 2'' (CH) | 76.31 |
| 3'' (CH) | 77.82 |
| 4'' (CH) | 71.55 |
| 5'' (CH) | 78.52 |
| 6'' (CH2) | 62.84 |
| 1''' (CH) | 95.78 |
| 2''' (CH) | 73.85 |
| 3''' (CH) | 78 |
| 4''' (CH) | 70.96 |
| 5''' (CH) | 77.88 |
| 6''' (CH2) | 69.51 |
| 1'''' (CH) | 104.64 |
| 2'''' (CH) | 75.15 |
| 3'''' (CH) | 78 |
| 4'''' (CH) | 71.55 |
| 5'''' (CH) | 78.18 |
| 6'''' (CH2) | 62.74 |
