Spektraris NMR
Oleifolioside B
Common Name: Oleifolioside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H78O18/c1-20(8-9-27(51)42(4,5)58)29-21(48)15-44(7)26-14-24(61-39-35(57)33(55)32(54)25(16-47)62-39)37-41(2,3)28(10-11-46(37)19-45(26,46)13-12-43(29,44)6)63-40-36(31(53)23(50)18-60-40)64-38-34(56)30(52)22(49)17-59-38/h20-40,47-58H,8-19H2,1-7H3/t20-,21+,22+,23-,24+,25-,26+,27+,28+,29-,30+,31+,32-,33+,34-,35-,36-,37+,38-,39-,40+,43-,44+,45+,46-/m1/s1
InChIKey: InChIKey=LPPGPBZPARFUNS-UEIPXFRPSA-N
Formula: C46H78O18
Molecular Weight: 919.102519
Exact Mass: 918.518816
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ozipek, M., Donmez, A.A., Calis, I., Brun, R., Ruedi, P., Tasdemir, D. Phytochemistry (2005) 66, 1168-73
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) | 32.1 |
| 2 (CH2) | 30.2 |
| 3 (CH) | 87.9 |
| 4 (C) | 42.7 |
| 5 (CH) | 52.3 |
| 6 (CH) | 78.4 |
| 7 (CH2) | 33.8 |
| 8 (CH) | 44.5 |
| 9 (C) | 21.5 |
| 10 (C) | 28.3 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 33.2 |
| 13 (C) | 45.8 |
| 14 (C) | 46.9 |
| 15 (CH2) | 47.6 |
| 16 (CH) | 72 |
| 17 (CH) | 57.1 |
| 18 (CH3) | 18.1 |
| 19 (CH2) | 26.9 |
| 20 (CH) | 28.6 |
| 21 (CH3) | 18.4 |
| 22 (CH2) | 32.9 |
| 23 (CH2) | 27.8 |
| 24 (CH) | 77.1 |
| 25 (C) | 72.5 |
| 26 (CH3) | 26.5 |
| 27 (CH3) | 25.8 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 19.7 |
| 1' (CH) | 105.4 |
| 2' (CH) | 83.6 |
| 3' (CH) | 77.5 |
| 4' (CH) | 71 |
| 5' (CH2) | 66.6 |
| 1'' (CH) | 106.7 |
| 2'' (CH) | 73.7 |
| 3'' (CH) | 74.3 |
| 4'' (CH) | 69.2 |
| 5'' (CH2) | 67.1 |
| 1''' (CH) | 105.2 |
| 2''' (CH) | 75.7 |
| 3''' (CH) | 79 |
| 4''' (CH) | 72 |
| 5''' (CH) | 78.1 |
| 6''' (CH2) | 63.3 |
