Spektraris NMR
3‚,20S-Dihydroxydammar-24-en-21,28-dioic acid 3-O-{[R-Lrhamnopyranosyl(1f2)][R-L-rhamnopyranosyl(1f6)-‚-D-glucopyranosyl(1f3)]-R-L-arabinopyranosyl}-21-O-‚-D-glucopyranoside
![3‚,20S-Dihydroxydammar-24-en-21,28-dioic acid 3-O-{[R-Lrhamnopyranosyl(1f2)][R-L-rhamnopyranosyl(1f6)-‚-D-glucopyranosyl(1f3)]-R-L-arabinopyranosyl}-21-O-‚-D-glucopyranoside](/nmr/static/nmr/svg/19518.svg)
Common Name: 3‚,20S-Dihydroxydammar-24-en-21,28-dioic acid 3-O-{[R-Lrhamnopyranosyl(1f2)][R-L-rhamnopyranosyl(1f6)-‚-D-glucopyranosyl(1f3)]-R-L-arabinopyranosyl}-21-O-‚-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C59H96O28/c1-23(2)10-9-16-59(77,54(76)87-51-45(73)40(68)36(64)29(20-60)82-51)27-13-18-56(6)26(27)11-12-31-55(5)17-15-33(58(8,53(74)75)32(55)14-19-57(31,56)7)84-52-47(86-49-43(71)39(67)35(63)25(4)81-49)46(28(61)21-78-52)85-50-44(72)41(69)37(65)30(83-50)22-79-48-42(70)38(66)34(62)24(3)80-48/h10,24-52,60-73,77H,9,11-22H2,1-8H3,(H,74,75)/t24-,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-,52-,55+,56+,57+,58+,59-/m0/s1
InChIKey: InChIKey=NRPFCFFFZYTKIQ-GXFQAIQYSA-N
Formula: C59H96O28
Molecular Weight: 1253.379068
Exact Mass: 1252.608813
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) | 37.9 |
| 11 (CH2) | 22.5 |
| 12 (CH2) | 24.3 |
| 13 (CH) | 41.5 |
| 14 (C) | 50 |
| 15 (CH2) | 31 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 49 |
| 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) | 125.6 |
| 25 (C) | 131.5 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 18.1 |
| 28 (CH3) | 24.7 |
| 29 (C) | 177.7 |
| 30 (CH3) | 16.7 |
| 1' (CH) | 103.9 |
| 2' (CH) | 75.4 |
| 3' (CH) | 80.9 |
| 4' (CH) | 67.2 |
| 5' (CH2) | 62.7 |
| 1'' (CH) | 101.8 |
| 2'' (CH) | 72.8 |
| 3'' (CH) | 72.6 |
| 4'' (CH) | 74.1 |
| 5'' (CH) | 70.2 |
| 6'' (CH3) | 18.8 |
| 1''' (CH) | 106.1 |
| 2''' (CH) | 75.6 |
| 3''' (CH) | 78.6 |
| 4''' (CH) | 74.3 |
| 5''' (CH) | 78.1 |
| 6''' (CH2) | 68.1 |
| 1'''' (CH) | 102.8 |
| 2'''' (CH) | 72.3 |
| 3'''' (CH) | 72.9 |
| 4'''' (CH) | 74.1 |
| 5'''' (CH) | 70 |
| 6'''' (CH3) | 18.9 |
| 1''''' (CH) | 94.4 |
| 2''''' (CH) | 70.9 |
| 3''''' (CH) | 78.6 |
| 4''''' (CH) | 72.3 |
| 5''''' (CH) | 78.6 |
| 6''''' (CH2) | 63.5 |
