Spektraris NMR
(20S)-3beta-(2-O-alpha-L-Rhamnopyranosyl-3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyloxy)-21-(beta-D-glucopyranosyloxy)-20-hydroxydammara-24-ene
Common Name: (20S)-3beta-(2-O-alpha-L-Rhamnopyranosyl-3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyloxy)-21-(beta-D-glucopyranosyloxy)-20-hydroxydammara-24-ene
Synonyms: (20S)-3beta-(2-O-alpha-L-Rhamnopyranosyl-3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyloxy)-21-(beta-D-glucopyranosyloxy)-20-hydroxydammara-24-ene
CAS Registry Number:
InChI: InChI=1S/C53H90O21/c1-24(2)10-9-16-53(66,23-68-45-40(63)38(61)35(58)29(20-54)70-45)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(74-46-41(64)37(60)34(57)25(3)69-46)43(28(56)22-67-48)73-47-42(65)39(62)36(59)30(21-55)71-47/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=PMPCYIRXSZVXCS-MCQAXNNTSA-N
Formula: C53H90O21
Molecular Weight: 1063.271174
Exact Mass: 1062.59746
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yin, F., Zhang, Y., Yang, Z., Cheng, Q., Hu, L. J Nat Prod (2006) 69, 1394-8
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) | 39.8 |
| 2 (CH2) | 27 |
| 3 (CH) | 88.4 |
| 4 (C) | 40 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 35.8 |
| 8 (C) | 40.9 |
| 9 (CH) | 51.3 |
| 10 (C) | 37.2 |
| 11 (CH2) | 22 |
| 12 (CH2) | 24.8 |
| 13 (CH) | 41.9 |
| 14 (C) | 50.7 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 28 |
| 17 (CH) | 46.4 |
| 18 (CH3) | 16 |
| 19 (CH3) | 16.8 |
| 20 (C) | 76.5 |
| 21 (CH2) | 76.5 |
| 22 (CH2) | 36.8 |
| 23 (CH2) | 23.5 |
| 24 (CH) | 126.2 |
| 25 (C) | 131 |
| 26 (CH3) | 26.2 |
| 27 (CH3) | 17.9 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 17 |
| 30 (CH3) | 16.8 |
| 1' (CH) | 104.8 |
| 2' (CH) | 75 |
| 3' (CH) | 82.3 |
| 4' (CH) | 68.4 |
| 5' (CH2) | 65 |
| 1'' (CH) | 102.1 |
| 2'' (CH) | 72.7 |
| 3'' (CH) | 72.6 |
| 4'' (CH) | 74.1 |
| 5'' (CH) | 70.2 |
| 6'' (CH3) | 18.8 |
| 1''' (CH) | 104.9 |
| 2''' (CH) | 75.1 |
| 3''' (CH) | 78.4 |
| 4''' (CH) | 71.6 |
| 5''' (CH) | 78.6 |
| 6''' (CH2) | 62.7 |
| 1''''' (CH) | 106.3 |
| 2''''' (CH) | 75.6 |
| 3''''' (CH) | 78.6 |
| 4''''' (CH) | 71.9 |
| 5''''' (CH) | 78.6 |
| 6''''' (CH2) | 63 |
