Spektraris NMR
(20S)-3beta-(2-O-alpha-L-Rhamnopyranosyl-3-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-21-(beta-D-glucopyranosyloxy)dammara-24-ene-20-ol
Common Name: (20S)-3beta-(2-O-alpha-L-Rhamnopyranosyl-3-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-21-(beta-D-glucopyranosyloxy)dammara-24-ene-20-ol
Synonyms: (20S)-3beta-(2-O-alpha-L-Rhamnopyranosyl-3-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-21-(beta-D-glucopyranosyloxy)dammara-24-ene-20-ol
CAS Registry Number:
InChI: InChI=1S/C54H92O22/c1-24(2)10-9-16-54(68,23-69-46-41(65)39(63)35(59)28(20-55)71-46)27-13-18-52(7)26(27)11-12-32-51(6)17-15-33(50(4,5)31(51)14-19-53(32,52)8)74-49-45(76-47-42(66)38(62)34(58)25(3)70-47)44(37(61)30(22-57)73-49)75-48-43(67)40(64)36(60)29(21-56)72-48/h10,25-49,55-68H,9,11-23H2,1-8H3/t25-,26+,27-,28+,29+,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-,40-,41+,42+,43+,44-,45+,46+,47-,48-,49-,51-,52+,53+,54+/m0/s1
InChIKey: InChIKey=LBDNGHJEJCVDEG-BPUKXRDYSA-N
Formula: C54H92O22
Molecular Weight: 1093.297196
Exact Mass: 1092.608025
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yin, F., Hu, L., Lou, F., Pan, R. J Nat Prod (2004) 67, 942-52
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) | 27 |
| 3 (CH) | 88.9 |
| 4 (C) | 39.8 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 36.2 |
| 8 (C) | 40.8 |
| 9 (CH) | 51.1 |
| 10 (C) | 37 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 24.8 |
| 13 (CH) | 41.9 |
| 14 (C) | 50.6 |
| 15 (CH2) | 31.7 |
| 16 (CH2) | 27 |
| 17 (CH) | 46.3 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 16.7 |
| 20 (C) | 76.5 |
| 21 (CH2) | 76.5 |
| 22 (CH2) | 36.7 |
| 23 (CH2) | 23.4 |
| 24 (CH) | 126.1 |
| 25 (C) | 131 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 17.9 |
| 28 (CH3) | 28 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 17 |
| 1' (CH) | 105.1 |
| 2' (CH) | 77 |
| 3' (CH) | 89.6 |
| 4' (CH) | 70 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.4 |
| 1'' (CH) | 101.2 |
| 2'' (CH) | 72.5 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 73.9 |
| 5'' (CH) | 70 |
| 6'' (CH3) | 18.7 |
| 1''' (CH) | 104 |
| 2''' (CH) | 75.2 |
| 3''' (CH) | 77.9 |
| 4''' (CH) | 71.5 |
| 5''' (CH) | 78.5 |
| 6''' (CH2) | 62.8 |
| 1'''' (CH) | 106.1 |
| 2'''' (CH) | 75.5 |
| 3'''' (CH) | 78.6 |
| 4'''' (CH) | 71.8 |
| 5'''' (CH) | 78.6 |
| 6'''' (CH2) | 62.9 |
