Spektraris NMR
(20S)-3beta-(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-(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-(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/C53H90O21/c1-24(2)10-9-16-53(66,23-68-46-41(64)39(62)36(59)29(20-54)70-46)27-13-18-51(7)26(27)11-12-32-50(6)17-15-33(49(4,5)31(50)14-19-52(32,51)8)72-48-44(74-47-42(65)38(61)34(57)25(3)69-47)43(37(60)30(21-55)71-48)73-45-40(63)35(58)28(56)22-67-45/h10,25-48,54-66H,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-,50-,51+,52+,53+/m0/s1
InChIKey: InChIKey=XJWAAYKMTSFPQJ-IHTWHQQFSA-N
Formula: C53H90O21
Molecular Weight: 1063.271174
Exact Mass: 1062.59746
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) | 27.2 |
| 3 (CH) | 89 |
| 4 (C) | 40 |
| 5 (CH) | 56.9 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 35.8 |
| 8 (C) | 41 |
| 9 (CH) | 51.3 |
| 10 (C) | 37.3 |
| 11 (CH2) | 22 |
| 12 (CH2) | 24.8 |
| 13 (CH) | 42 |
| 14 (C) | 50.7 |
| 15 (CH2) | 31.9 |
| 16 (CH2) | 27.2 |
| 17 (CH) | 46.4 |
| 18 (CH3) | 16 |
| 19 (CH3) | 16.7 |
| 20 (C) | 76.4 |
| 21 (CH2) | 76.6 |
| 22 (CH2) | 36.7 |
| 23 (CH2) | 23.6 |
| 24 (CH) | 126 |
| 25 (C) | 131 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 17.9 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 17 |
| 30 (CH3) | 16.8 |
| 1' (CH) | 105.1 |
| 2' (CH) | 77 |
| 3' (CH) | 88 |
| 4' (CH) | 69.9 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62 |
| 1'' (CH) | 101 |
| 2'' (CH) | 72.5 |
| 3'' (CH) | 72.6 |
| 4'' (CH) | 74 |
| 5'' (CH) | 69 |
| 6'' (CH3) | 18.7 |
| 1''' (CH) | 105 |
| 2''' (CH) | 74.9 |
| 3''' (CH) | 78.4 |
| 4''' (CH) | 70.7 |
| 5''' (CH2) | 67 |
| 1'''' (CH) | 106 |
| 2'''' (CH) | 75.6 |
| 3'''' (CH) | 78.7 |
| 4'''' (CH) | 71.9 |
| 5'''' (CH) | 78.6 |
| 6'''' (CH2) | 63 |
