Spektraris NMR
(20S)-3beta-(6-O-Acetyl-2-O-alpha-L-rhamnopyranosyl-3-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-21-(beta-D-glucopyranosyloxy)dammara-24-ene-20-ol
Common Name: (20S)-3beta-(6-O-Acetyl-2-O-alpha-L-rhamnopyranosyl-3-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-21-(beta-D-glucopyranosyloxy)dammara-24-ene-20-ol
Synonyms: (20S)-3beta-(6-O-Acetyl-2-O-alpha-L-rhamnopyranosyl-3-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-21-(beta-D-glucopyranosyloxy)dammara-24-ene-20-ol
CAS Registry Number:
InChI: InChI=1S/C55H92O22/c1-25(2)11-10-17-55(68,24-71-48-43(66)41(64)38(61)31(21-56)73-48)29-14-19-53(8)28(29)12-13-34-52(7)18-16-35(51(5,6)33(52)15-20-54(34,53)9)75-50-46(77-49-44(67)40(63)36(59)26(3)72-49)45(39(62)32(74-50)23-69-27(4)57)76-47-42(65)37(60)30(58)22-70-47/h11,26,28-50,56,58-68H,10,12-24H2,1-9H3/t26-,28+,29-,30+,31+,32+,33-,34+,35-,36-,37-,38+,39+,40+,41-,42+,43+,44+,45-,46+,47-,48+,49-,50-,52-,53+,54+,55+/m0/s1
InChIKey: InChIKey=COEHGCNHDOMMQQ-FMOXJPEISA-N
Formula: C55H92O22
Molecular Weight: 1105.307932
Exact Mass: 1104.608025
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) | 89 |
| 4 (C) | 39.9 |
| 5 (CH) | 57 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 35.8 |
| 8 (C) | 40.9 |
| 9 (CH) | 51.3 |
| 10 (C) | 37 |
| 11 (CH2) | 22 |
| 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) | 36.8 |
| 23 (CH2) | 23.5 |
| 24 (CH) | 126.1 |
| 25 (C) | 131.1 |
| 26 (CH3) | 26 |
| 27 (CH3) | 17.9 |
| 28 (CH3) | 28 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 16.8 |
| 1' (CH) | 105.1 |
| 2' (CH) | 76.8 |
| 3' (CH) | 87.9 |
| 4' (CH) | 70 |
| 5' (CH) | 74.5 |
| 6' (CH2) | 64.3 |
| 1'' (CH) | 101.9 |
| 2'' (CH) | 72.6 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 74 |
| 5'' (CH) | 70 |
| 6'' (CH3) | 18.8 |
| 1''' (CH) | 105.1 |
| 2''' (CH) | 74.9 |
| 3''' (CH) | 78.4 |
| 4''' (CH) | 70.7 |
| 5''' (CH2) | 67.4 |
| 1'''' (CH) | 106.3 |
| 2'''' (CH) | 75.5 |
| 3'''' (CH) | 78.7 |
| 4'''' (CH) | 71.9 |
| 5'''' (CH) | 78.6 |
| 6'''' (CH2) | 63 |
| 6'a (C) | 170.9 |
| 6'b (CH3) | 20.9 |
