Spektraris NMR
(20S,24S)-20,24-Dihydroxy-3beta-(2-O-alpha-L-rhamnopyranosyl-3-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyloxy)-21-(beta-D-glucopyranosyloxy)dammara-25-ene-19-al
Common Name: (20S,24S)-20,24-Dihydroxy-3beta-(2-O-alpha-L-rhamnopyranosyl-3-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyloxy)-21-(beta-D-glucopyranosyloxy)dammara-25-ene-19-al
Synonyms: (20S,24S)-20,24-Dihydroxy-3beta-(2-O-alpha-L-rhamnopyranosyl-3-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyloxy)-21-(beta-D-glucopyranosyloxy)dammara-25-ene-19-al
CAS Registry Number:
InChI: InChI=1S/C52H86O22/c1-23(2)27(55)11-17-52(66,22-69-45-40(64)38(62)36(60)30(18-53)71-45)26-10-14-49(6)25(26)8-9-32-50(49,7)15-12-31-48(4,5)33(13-16-51(31,32)21-54)72-47-43(74-46-41(65)37(61)34(58)24(3)70-46)42(29(57)20-68-47)73-44-39(63)35(59)28(56)19-67-44/h21,24-47,53,55-66H,1,8-20,22H2,2-7H3/t24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39+,40+,41+,42-,43+,44-,45+,46-,47-,49+,50+,51+,52+/m0/s1
InChIKey: InChIKey=PPUWTMMPCPRUMR-XNXQXMOISA-N
Formula: C52H86O22
Molecular Weight: 1063.22808
Exact Mass: 1062.561074
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) | 33.7 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 87.3 |
| 4 (C) | 40.5 |
| 5 (CH) | 55 |
| 6 (CH2) | 17.8 |
| 7 (CH2) | 34.8 |
| 8 (C) | 40.2 |
| 9 (CH) | 53 |
| 10 (C) | 52.9 |
| 11 (CH2) | 22.4 |
| 12 (CH2) | 24.8 |
| 13 (CH) | 41.7 |
| 14 (C) | 50.4 |
| 15 (CH2) | 32.1 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 46.4 |
| 18 (CH3) | 16.2 |
| 19 (CH) | 205.6 |
| 20 (C) | 76.3 |
| 21 (CH2) | 76.3 |
| 22 (CH2) | 32.8 |
| 23 (CH2) | 30.5 |
| 24 (CH) | 76.1 |
| 25 (C) | 150.1 |
| 26 (CH2) | 110.3 |
| 27 (CH3) | 18.4 |
| 28 (CH3) | 26.5 |
| 29 (CH3) | 16.5 |
| 30 (CH3) | 17.4 |
| 1' (CH) | 104.9 |
| 2' (CH) | 74.7 |
| 3' (CH) | 81.8 |
| 4' (CH) | 68.5 |
| 5' (CH2) | 65.2 |
| 1'' (CH) | 102.1 |
| 2'' (CH) | 72.6 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 73.9 |
| 5'' (CH) | 70.1 |
| 6'' (CH3) | 18.7 |
| 1''' (CH) | 105.3 |
| 2''' (CH) | 74.5 |
| 3''' (CH) | 77.8 |
| 4''' (CH) | 71.2 |
| 5''' (CH2) | 67 |
| 1'''' (CH) | 106.1 |
| 2'''' (CH) | 75.5 |
| 3'''' (CH) | 78.6 |
| 4'''' (CH) | 71.8 |
| 5'''' (CH) | 78.6 |
| 6'''' (CH2) | 62.9 |
