Spektraris NMR
3b,20S,21-Trihydroxy-25-methoxydammar-23-ene 3-O-a-L-Rhamnopyra- nosyl(1-->2)-[b-D-xylopyranosyl(1-->3)]-b-D-glucopyranosyl-21-O-b-D-xylopyranoside
![3b,20S,21-Trihydroxy-25-methoxydammar-23-ene 3-O-a-L-Rhamnopyra- nosyl(1-->2)-[b-D-xylopyranosyl(1-->3)]-b-D-glucopyranosyl-21-O-b-D-xylopyranoside](/nmr/static/nmr/svg/19931.svg)
Common Name: 3b,20S,21-Trihydroxy-25-methoxydammar-23-ene 3-O-a-L-Rhamnopyra- nosyl(1-->2)-[b-D-xylopyranosyl(1-->3)]-b-D-glucopyranosyl-21-O-b-D-xylopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C53H90O21/c1-25-34(57)38(61)41(64)46(70-25)74-43-42(73-45-40(63)36(59)29(56)23-68-45)37(60)30(21-54)71-47(43)72-33-15-18-50(6)31(49(33,4)5)14-20-52(8)32(50)12-11-26-27(13-19-51(26,52)7)53(65,17-10-16-48(2,3)66-9)24-69-44-39(62)35(58)28(55)22-67-44/h10,16,25-47,54-65H,11-15,17-24H2,1-9H3/b16-10+/t25-,26+,27-,28+,29+,30+,31-,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42-,43+,44-,45-,46-,47-,50-,51+,52+,53+/m0/s1
InChIKey: InChIKey=WZSGJIDFWINBDL-DAANLCSLSA-N
Formula: C53H90O21
Molecular Weight: 1063.271174
Exact Mass: 1062.59746
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yin, F., Hu, L., Pan, R. Chem Pharm Bull (2004) 52, 1440-4
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) | 27.1 |
| 3 (CH) | 89.1 |
| 4 (C) | 39.9 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 35.9 |
| 8 (C) | 40.9 |
| 9 (CH) | 51.2 |
| 10 (C) | 37.2 |
| 11 (CH2) | 22 |
| 12 (CH2) | 24.8 |
| 13 (CH) | 42 |
| 14 (C) | 50.7 |
| 15 (CH2) | 31.7 |
| 16 (CH2) | 27.2 |
| 17 (CH) | 46.4 |
| 18 (CH3) | 16 |
| 19 (CH3) | 16.8 |
| 20 (C) | 77 |
| 21 (CH2) | 76.7 |
| 22 (CH2) | 40 |
| 23 (CH) | 127.3 |
| 24 (CH) | 138.7 |
| 25 (C) | 75.3 |
| 26 (CH3) | 26.5 |
| 27 (CH3) | 26.2 |
| 28 (CH3) | 28 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 16.8 |
| 1' (CH) | 105.2 |
| 2' (CH) | 77.3 |
| 3' (CH) | 88.5 |
| 4' (CH) | 70.1 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 63.1 |
| 1'' (CH) | 102.1 |
| 2'' (CH) | 72.8 |
| 3'' (CH) | 72.7 |
| 4'' (CH) | 74.2 |
| 5'' (CH) | 70.1 |
| 6'' (CH3) | 18.9 |
| 1''' (CH) | 105.1 |
| 2''' (CH) | 75.1 |
| 3''' (CH) | 78.5 |
| 4''' (CH) | 70.9 |
| 5''' (CH2) | 67.5 |
| 1'''' (CH) | 106.4 |
| 2'''' (CH) | 75.7 |
| 3'''' (CH) | 78.9 |
| 4'''' (CH) | 72 |
| 5'''' (CH2) | 67.2 |
| 25a (CH3) | 50.7 |
