Spektraris NMR
(20S)-3b,20,21ξ,25-Tetrahydroxy-21,24ξ-cyclodammarane 3-O-{[a-l-Rhamnopyranosyl(1-->2)][b-d-xylopyranosyl(1-->3)]-b-d-6-O-acetylglucopyranoside
![(20S)-3b,20,21ξ,25-Tetrahydroxy-21,24ξ-cyclodammarane 3-O-{[a-l-Rhamnopyranosyl(1-->2)][b-d-xylopyranosyl(1-->3)]-b-d-6-O-acetylglucopyranoside](/nmr/static/nmr/svg/16492.svg)
Common Name: (20S)-3b,20,21ξ,25-Tetrahydroxy-21,24ξ-cyclodammarane 3-O-{[a-l-Rhamnopyranosyl(1-->2)][b-d-xylopyranosyl(1-->3)]-b-d-6-O-acetylglucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C49H82O18/c1-22-32(52)35(55)37(57)42(63-22)67-39-38(66-41-36(56)33(53)27(51)20-62-41)34(54)28(21-61-23(2)50)64-43(39)65-31-15-16-46(7)29(44(31,3)4)14-18-48(9)30(46)11-10-24-25(12-17-47(24,48)8)49(60)19-13-26(40(49)58)45(5,6)59/h22,24-43,51-60H,10-21H2,1-9H3/t22-,24+,25-,26?,27+,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40?,41-,42-,43-,46-,47+,48+,49-/m0/s1
InChIKey: InChIKey=XGAHDSBFYHHXOM-UORLRHENSA-N
Formula: C49H82O18
Molecular Weight: 959.166489
Exact Mass: 958.550116
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yin, F., Zhang, Y.N., Yang, Z.Y., Hu, L.H. Chem Biodivers (2006) 3, 771-82
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) | 27.9 |
| 3 (CH) | 89.7 |
| 4 (C) | 39.8 |
| 5 (CH) | 57 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 35.9 |
| 8 (C) | 40.8 |
| 9 (CH) | 51.4 |
| 10 (C) | 37.3 |
| 11 (CH2) | 22 |
| 12 (CH2) | 25.9 |
| 13 (CH) | 44.1 |
| 14 (C) | 50.4 |
| 15 (CH2) | 31.9 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 47.8 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 16.7 |
| 20 (C) | 83.3 |
| 21 (CH) | 78 |
| 22 (CH2) | 32.3 |
| 23 (CH2) | 22.7 |
| 24 (CH) | 54.7 |
| 25 (C) | 71.8 |
| 26 (CH3) | 29.9 |
| 27 (CH3) | 27.5 |
| 28 (CH3) | 28 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 15.8 |
| 1' (CH) | 105 |
| 2' (CH) | 76.8 |
| 3' (CH) | 87.9 |
| 4' (CH) | 70 |
| 5' (CH) | 74.5 |
| 6' (CH2) | 64.2 |
| 1'' (CH) | 101.9 |
| 2'' (CH) | 72.6 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 74 |
| 5'' (CH) | 70 |
| 6'' (CH3) | 18.7 |
| 1''' (CH) | 105 |
| 2''' (CH) | 74.9 |
| 3''' (CH) | 78.4 |
| 4''' (CH) | 70.7 |
| 5''' (CH2) | 67.4 |
| 6'a (C) | 170.8 |
| 6'b (CH3) | 20.9 |
