Spektraris NMR
3‚,20S,25-Trihydroxydammar-23-en-21,28-dioic acid 3-O-{[RL-rhamnopyranosyl(1f2)][R-L-rhamnopyranosyl(1f6)-‚-D-glucopyranosyl(1f3)]-R-L-arabinopyranosyl}-21-O-‚-D-glucopyranoside
![3‚,20S,25-Trihydroxydammar-23-en-21,28-dioic acid 3-O-{[RL-rhamnopyranosyl(1f2)][R-L-rhamnopyranosyl(1f6)-‚-D-glucopyranosyl(1f3)]-R-L-arabinopyranosyl}-21-O-‚-D-glucopyranoside](/nmr/static/nmr/svg/19519.svg)
Common Name: 3‚,20S,25-Trihydroxydammar-23-en-21,28-dioic acid 3-O-{[RL-rhamnopyranosyl(1f2)][R-L-rhamnopyranosyl(1f6)-‚-D-glucopyranosyl(1f3)]-R-L-arabinopyranosyl}-21-O-‚-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C59H96O29/c1-23-33(62)37(66)41(70)47(81-23)80-22-29-36(65)40(69)43(72)49(84-29)86-45-27(61)21-79-51(46(45)87-48-42(71)38(67)34(63)24(2)82-48)85-32-14-17-55(5)30-11-10-25-26(12-18-56(25,6)57(30,7)19-13-31(55)58(32,8)52(74)75)59(78,16-9-15-54(3,4)77)53(76)88-50-44(73)39(68)35(64)28(20-60)83-50/h9,15,23-51,60-73,77-78H,10-14,16-22H2,1-8H3,(H,74,75)/b15-9+/t23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,34-,35+,36+,37+,38+,39-,40-,41+,42+,43+,44+,45-,46+,47+,48-,49-,50-,51-,55+,56+,57+,58+,59-/m0/s1
InChIKey: InChIKey=FHPRURXHQOXXPD-FJPWHFHFSA-N
Formula: C59H96O29
Molecular Weight: 1269.378473
Exact Mass: 1268.603727
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) | 40 |
| 2 (CH2) | 26.2 |
| 3 (CH) | 88.7 |
| 4 (C) | 49.9 |
| 5 (CH) | 57.4 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 36.1 |
| 8 (C) | 40.8 |
| 9 (CH) | 50.9 |
| 10 (C) | 37.9 |
| 11 (CH2) | 22.4 |
| 12 (CH2) | 24.3 |
| 13 (CH) | 41.3 |
| 14 (C) | 50.5 |
| 15 (CH2) | 31 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 48.4 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 14.7 |
| 20 (C) | 79.7 |
| 21 (C) | 175.5 |
| 22 (CH2) | 42.9 |
| 23 (CH) | 121.5 |
| 24 (CH) | 144.1 |
| 25 (C) | 70.3 |
| 26 (CH3) | 30.7 |
| 27 (CH3) | 30.7 |
| 28 (CH3) | 24.7 |
| 29 (C) | 178 |
| 30 (CH3) | 16.7 |
| 1' (CH) | 103.9 |
| 2' (CH) | 75.3 |
| 3' (CH) | 81.8 |
| 4' (CH) | 67.1 |
| 5' (CH2) | 62.7 |
| 1'' (CH) | 101.7 |
| 2'' (CH) | 72.7 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 74.1 |
| 5'' (CH) | 70.2 |
| 6'' (CH3) | 18.7 |
| 1''' (CH) | 106 |
| 2''' (CH) | 75.8 |
| 3''' (CH) | 78.6 |
| 4''' (CH) | 72.3 |
| 5''' (CH) | 78.2 |
| 6''' (CH2) | 68.1 |
| 1'''' (CH) | 102.8 |
| 2'''' (CH) | 72.3 |
| 3'''' (CH) | 72.9 |
| 4'''' (CH) | 74.2 |
| 5'''' (CH) | 69.9 |
| 6'''' (CH3) | 18.9 |
| 1''''' (CH) | 94.5 |
| 2''''' (CH) | 70.9 |
| 3''''' (CH) | 78.6 |
| 4''''' (CH) | 72.1 |
| 5''''' (CH) | 78.7 |
| 6''''' (CH2) | 63.3 |
