Spektraris NMR
18-Methyl-3,28-dioxo-28-[6-O-[4-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]-27-norolean-14-en-29-oic acid
![18-Methyl-3,28-dioxo-28-[6-O-[4-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]-27-norolean-14-en-29-oic acid](/nmr/static/nmr/svg/3805.svg)
Common Name: 18-Methyl-3,28-dioxo-28-[6-O-[4-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]-27-norolean-14-en-29-oic acid
Synonyms: 18-Methyl-3,28-dioxo-28-[6-O-[4-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]-27-norolean-14-en-29-oic acid
CAS Registry Number:
InChI: InChI=1S/C48H74O19/c1-21-29(51)31(53)34(56)39(63-21)66-37-24(18-49)64-38(36(58)33(37)55)62-19-25-30(52)32(54)35(57)40(65-25)67-42(61)48-15-10-22-23(47(48,7)20-44(4,16-17-48)41(59)60)8-9-27-45(22,5)13-11-26-43(2,3)28(50)12-14-46(26,27)6/h10,21,23-27,29-40,49,51-58H,8-9,11-20H2,1-7H3,(H,59,60)/t21-,23-,24+,25+,26-,27-,29-,30+,31+,32-,33+,34+,35+,36+,37+,38+,39-,40-,44+,45-,46-,47-,48-/m0/s1
InChIKey: InChIKey=JBDHILIFNRJPRN-HRQKASCNSA-N
Formula: C48H74O19
Molecular Weight: 955.091632
Exact Mass: 954.48243
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhu, M., Phillipson, J.D., Greengrass, P.M., Bowery, N.G. Phytochemistry (1996) 43, 1307-11
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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) | 35.1 |
| 2 (CH2) | 35.2 |
| 3 (C) | 218.8 |
| 4 (C) | 44.7 |
| 5 (CH) | 48.5 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 35 |
| 8 (C) | 47.6 |
| 9 (CH) | 56.4 |
| 10 (C) | 40.6 |
| 11 (CH2) | 24.2 |
| 12 (CH2) | 44.7 |
| 13 (CH) | 44.7 |
| 14 (C) | 137.5 |
| 15 (CH) | 127.6 |
| 16 (CH2) | 25.7 |
| 17 (C) | 57.1 |
| 18 (C) | 39.4 |
| 19 (CH2) | 40.6 |
| 20 (C) | 31.6 |
| 21 (CH2) | 32.9 |
| 22 (CH2) | 25.7 |
| 23 (CH3) | 27.3 |
| 24 (CH3) | 21.8 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 19 |
| 27 (CH3) | 24.1 |
| 28 (C) | 178 |
| 29 (C) | 180 |
| 30 (CH3) | 33.7 |
| 1' (CH) | 95.6 |
| 2' (CH) | 73.8 |
| 3' (CH) | 79.5 |
| 4' (CH) | 71 |
| 5' (CH) | 76.9 |
| 6' (CH2) | 69.4 |
| 1'' (CH) | 104 |
| 2'' (CH) | 74.3 |
| 3'' (CH) | 76.7 |
| 4'' (CH) | 78.2 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 61.9 |
| 1''' (CH) | 102.5 |
| 2''' (CH) | 72.5 |
| 3''' (CH) | 72.1 |
| 4''' (CH) | 73.9 |
| 5''' (CH) | 71 |
| 6''' (CH3) | 17.9 |
