Spektraris NMR
(20S)-3beta-(2-O-alpha-L-Rhamnopyranosyl-3-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-21-(beta-D-glucopyranosyloxy)dammara-24-ene-19,20-diol
Common Name: (20S)-3beta-(2-O-alpha-L-Rhamnopyranosyl-3-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-21-(beta-D-glucopyranosyloxy)dammara-24-ene-19,20-diol
Synonyms: (20S)-3beta-(2-O-alpha-L-Rhamnopyranosyl-3-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-21-(beta-D-glucopyranosyloxy)dammara-24-ene-19,20-diol
CAS Registry Number:
InChI: InChI=1S/C53H90O22/c1-24(2)9-8-15-53(67,23-69-46-41(65)39(63)36(60)29(19-54)71-46)27-12-16-50(6)26(27)10-11-32-51(50,7)17-13-31-49(4,5)33(14-18-52(31,32)22-56)73-48-44(75-47-42(66)38(62)34(58)25(3)70-47)43(37(61)30(20-55)72-48)74-45-40(64)35(59)28(57)21-68-45/h9,25-48,54-67H,8,10-23H2,1-7H3/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=KACVVWZFKSGSLO-GIVFAMPTSA-N
Formula: C53H90O22
Molecular Weight: 1079.270579
Exact Mass: 1078.592375
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) | 35.3 |
| 2 (CH2) | 28 |
| 3 (CH) | 89.5 |
| 4 (C) | 39.9 |
| 5 (CH) | 57.6 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 36.4 |
| 8 (C) | 41.2 |
| 9 (CH) | 53.3 |
| 10 (C) | 42.3 |
| 11 (CH2) | 25 |
| 12 (CH2) | 28 |
| 13 (CH) | 42.5 |
| 14 (C) | 51 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 29 |
| 17 (CH) | 46.3 |
| 18 (CH3) | 16.3 |
| 19 (CH2) | 61.8 |
| 20 (C) | 76.7 |
| 21 (CH2) | 76.7 |
| 22 (CH2) | 36.8 |
| 23 (CH2) | 23.6 |
| 24 (CH) | 126.3 |
| 25 (C) | 131 |
| 26 (CH3) | 26 |
| 27 (CH3) | 17.9 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 17.2 |
| 30 (CH3) | 17.4 |
| 1' (CH) | 105.2 |
| 2' (CH) | 77.1 |
| 3' (CH) | 88.4 |
| 4' (CH) | 69.9 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.2 |
| 1'' (CH) | 101.9 |
| 2'' (CH) | 72.7 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 74 |
| 5'' (CH) | 69.9 |
| 6'' (CH3) | 18.7 |
| 1''' (CH) | 105 |
| 2''' (CH) | 75 |
| 3''' (CH) | 78.4 |
| 4''' (CH) | 70.8 |
| 5''' (CH2) | 67.4 |
| 1'''' (CH) | 106.3 |
| 2'''' (CH) | 75.6 |
| 3'''' (CH) | 78.8 |
| 4'''' (CH) | 71.8 |
| 5'''' (CH) | 78.7 |
| 6'''' (CH2) | 62.9 |
