Spektraris NMR
Acantrifoside C
Common Name: Acantrifoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C50H78O21/c1-21(18-51)24-10-15-50(17-16-47(5)25(31(24)50)8-9-28-46(4)13-12-30(67-23(3)53)49(7,44(62)63)29(46)11-14-48(28,47)6)45(64)71-43-38(60)35(57)33(55)27(69-43)20-65-41-39(61)36(58)40(26(19-52)68-41)70-42-37(59)34(56)32(54)22(2)66-42/h22,24-43,51-52,54-61H,1,8-20H2,2-7H3,(H,62,63)/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-,50-/m0/s1
InChIKey: InChIKey=VMUGZJFPIUEICT-ZYYUPPQOSA-N
Formula: C50H78O21
Molecular Weight: 1015.143677
Exact Mass: 1014.50356
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kiem, P.V., Cai, X.F., Minh, C.V., Lee, J.J., Kim, Y.H. Chem Pharm Bull (2003) 51, 1432-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 33.4 |
| 2 (CH2) | 22.9 |
| 3 (CH) | 76 |
| 4 (C) | 50.2 |
| 5 (CH) | 46 |
| 6 (CH2) | 21.6 |
| 7 (CH2) | 34.5 |
| 8 (C) | 41.7 |
| 9 (CH) | 51 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21 |
| 12 (CH2) | 27.1 |
| 13 (CH) | 38.5 |
| 14 (C) | 42.9 |
| 15 (CH2) | 30.1 |
| 16 (CH2) | 32.7 |
| 17 (C) | 56.6 |
| 18 (CH) | 50.1 |
| 19 (CH) | 43.1 |
| 20 (C) | 156.6 |
| 21 (CH2) | 32.7 |
| 22 (CH2) | 37.6 |
| 23 (C) | 178.1 |
| 24 (CH3) | 17.5 |
| 25 (CH3) | 16.6 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 15 |
| 28 (C) | 175 |
| 29 (CH2) | 106 |
| 30 (CH2) | 64.5 |
| 1' (CH) | 95.2 |
| 2' (CH) | 74 |
| 3' (CH) | 78.4 |
| 4' (CH) | 70.8 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 69.4 |
| 1'' (CH) | 105 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 76.6 |
| 4'' (CH) | 78.7 |
| 5'' (CH) | 77.2 |
| 6'' (CH2) | 61.4 |
| 1''' (CH) | 102.7 |
| 2''' (CH) | 72.6 |
| 3''' (CH) | 72.8 |
| 4''' (CH) | 74 |
| 5''' (CH) | 70.4 |
| 6''' (CH3) | 18.5 |
| 3a (C) | 170 |
| 3b (CH3) | 21.2 |
