Spektraris NMR
3-O-R-L-rhamnopyranosyl-(1->6)-?-D-glucopyranosyljujubogenin-20-O-(2,3,4-O-triacetyl)-R-L-rhamnopyra
Common Name: 3-O-R-L-rhamnopyranosyl-(1->6)-?-D-glucopyranosyljujubogenin-20-O-(2,3,4-O-triacetyl)-R-L-rhamnopyra
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C54H84O20/c1-24(2)19-30-20-52(12,74-48-44(70-29(7)57)43(69-28(6)56)42(26(4)67-48)68-27(5)55)45-31-13-14-34-50(10)17-16-35(49(8,9)33(50)15-18-51(34,11)53(31)22-54(45,73-30)65-23-53)72-47-41(63)39(61)37(59)32(71-47)21-64-46-40(62)38(60)36(58)25(3)66-46/h19,25-26,30-48,58-63H,13-18,20-23H2,1-12H3/t25-,26-,30-,31+,32+,33-,34+,35-,36-,37+,38+,39-,40+,41+,42-,43+,44+,45-,46+,47-,48-,50-,51+,52-,53-,54-/m0/s1
InChIKey: InChIKey=QBFHRMPOFOZKOQ-WSCWRHILSA-N
Formula: C54H84O20
Molecular Weight: 1053.23486
Exact Mass: 1052.555595
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Maciuk, A., Lavaud, C., Thepenier, P., Jacquier, M.J., Ghedira, K., Zeches-Hanrot, M. J Nat Prod (2004) 67, 1639-43
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39.6 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 90.8 |
| 4 (C) | 40.4 |
| 5 (C) | 57.3 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 36.8 |
| 8 (C) | 38.3 |
| 9 (C) | 54.1 |
| 10 (C) | 38.5 |
| 11 (CH2) | 22.4 |
| 12 (CH2) | 29.2 |
| 13 (C) | 38.3 |
| 14 (C) | 54.9 |
| 15 (CH2) | 37.8 |
| 16 (C) | 110.8 |
| 17 (C) | 55.3 |
| 18 (CH2) | 66.9 |
| 19 (CH3) | 16.8 |
| 20 (C) | 78.1 |
| 21 (CH3) | 24.5 |
| 22 (CH2) | 41 |
| 23 (CH) | 69.6 |
| 24 (CH) | 125.9 |
| 25 (C) | 137.3 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 18.8 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 19.5 |
| 30 (CH3) | 20.7 |
| 1' (CH) | 106.8 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.8 |
| 5' (CH) | 76.4 |
| 6' (CH2) | 68.3 |
| 1'' (CH) | 102.2 |
| 2'' (CH) | 72.3 |
| 3'' (CH) | 72.4 |
| 4'' (CH) | 74 |
| 5'' (CH) | 69.8 |
| 6'' (CH3) | 18.2 |
| 1''' (CH) | 93.5 |
| 2''' (CH) | 72.3 |
| 3''' (CH) | 70.8 |
| 4''' (CH) | 71.8 |
| 5''' (CH) | 69.3 |
| 6''' (CH3) | 18 |
| 2'''a (C) | 172 |
| 2'''b (CH3) | 20.6 |
| 3'''a (C) | 171.7 |
| 3'''b (CH3) | 20.6 |
| 4'''a (C) | 171.6 |
| 4'''b (CH3) | 20.6 |
