Spektraris NMR
3‚,20S-Dihydroxydammar-24-en-21,28-dioic acid 3-O-{[R-Lrhamnopyranosyl(1f2)][‚-D-glucopyranosyl(1f3)]-R-L-arabinopyranosyl}-21-O-‚-D-glucopyranoside
![3‚,20S-Dihydroxydammar-24-en-21,28-dioic acid 3-O-{[R-Lrhamnopyranosyl(1f2)][‚-D-glucopyranosyl(1f3)]-R-L-arabinopyranosyl}-21-O-‚-D-glucopyranoside](/nmr/static/nmr/svg/19521.svg)
Common Name: 3‚,20S-Dihydroxydammar-24-en-21,28-dioic acid 3-O-{[R-Lrhamnopyranosyl(1f2)][‚-D-glucopyranosyl(1f3)]-R-L-arabinopyranosyl}-21-O-‚-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C53H86O24/c1-22(2)9-8-15-53(69,48(68)77-45-40(65)37(62)34(59)28(20-55)73-45)25-12-17-50(5)24(25)10-11-29-49(4)16-14-31(52(7,47(66)67)30(49)13-18-51(29,50)6)74-46-42(76-43-38(63)35(60)32(57)23(3)71-43)41(26(56)21-70-46)75-44-39(64)36(61)33(58)27(19-54)72-44/h9,23-46,54-65,69H,8,10-21H2,1-7H3,(H,66,67)/t23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-,46-,49+,50+,51+,52+,53-/m0/s1
InChIKey: InChIKey=ZJJOCWLXKRDIQA-HNSZZXMHSA-N
Formula: C53H86O24
Molecular Weight: 1107.237626
Exact Mass: 1106.550904
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yin, F., Zhang, Y., Yang, Z., Cheng, Q., Hu, L. J Nat Prod (2006) 69, 1394-8
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) | 39.9 |
| 2 (CH2) | 26.2 |
| 3 (CH) | 88.6 |
| 4 (C) | 50 |
| 5 (CH) | 57.4 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 36.1 |
| 8 (C) | 40.8 |
| 9 (CH) | 50.9 |
| 10 (C) | 37.8 |
| 11 (CH2) | 22.4 |
| 12 (CH2) | 24.3 |
| 13 (CH) | 41.5 |
| 14 (C) | 50.5 |
| 15 (CH2) | 31 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 49.1 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 14.7 |
| 20 (C) | 79.3 |
| 21 (C) | 176.1 |
| 22 (CH2) | 40.1 |
| 23 (CH2) | 23.3 |
| 24 (CH) | 123.5 |
| 25 (C) | 131.6 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 18 |
| 28 (CH3) | 24.6 |
| 29 (C) | 177.8 |
| 30 (CH3) | 16.7 |
| 1' (CH) | 104 |
| 2' (CH) | 75.4 |
| 3' (CH) | 81.1 |
| 4' (CH) | 67.3 |
| 5' (CH2) | 62.9 |
| 1'' (CH) | 101.9 |
| 2'' (CH) | 72.8 |
| 3'' (CH) | 72.6 |
| 4'' (CH) | 74.3 |
| 5'' (CH) | 70.2 |
| 6'' (CH3) | 18.8 |
| 1''' (CH) | 105.9 |
| 2''' (CH) | 75.6 |
| 3''' (CH) | 78.7 |
| 4''' (CH) | 72.6 |
| 5''' (CH) | 78.6 |
| 6''' (CH2) | 62.4 |
| 1'''' (CH) | 94.5 |
| 2'''' (CH) | 70.9 |
| 3'''' (CH) | 78.6 |
| 4'''' (CH) | 72.3 |
| 5'''' (CH) | 79.3 |
| 6'''' (CH2) | 63.4 |
