Spektraris NMR
Rhoipteleside A
Common Name: Rhoipteleside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H80O15/c1-21(2)18-26(61-42-39(55)36(52)33(49)23(4)58-42)19-22(3)27-14-17-47(10)28-12-13-30-45(7,8)31(63-44-41(57)38(54)35(51)25(6)60-44)15-16-46(30,9)32(28)29(20-48(27,47)11)62-43-40(56)37(53)34(50)24(5)59-43/h12,18,22-27,29-44,49-57H,13-17,19-20H2,1-11H3/t22-,23+,24-,25+,26+,27+,29-,30+,31-,32-,33+,34+,35+,36-,37+,38-,39-,40-,41-,42+,43+,44+,46+,47-,48+/m1/s1
InChIKey: InChIKey=ZKPWXOABISUXRE-RATAJHCESA-N
Formula: C48H80O15
Molecular Weight: 897.141657
Exact Mass: 896.549722
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Jiang, Z.H., Tanaka, T., Hirata, H., Fukuoka, R., Kouno, I. Tetrahedron (1997) 53, 16999-7008
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Euphanes; 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) | 32.9 |
| 2 (CH2) | 21.3 |
| 3 (CH) | 80.8 |
| 4 (C) | 38.6 |
| 5 (CH) | 46.1 |
| 6 (CH2) | 25 |
| 7 (CH) | 121.9 |
| 8 (C) | 144.5 |
| 9 (CH) | 54.9 |
| 10 (C) | 38 |
| 11 (CH) | 72.3 |
| 12 (CH2) | 44.6 |
| 13 (C) | 45.1 |
| 14 (C) | 52.6 |
| 15 (CH2) | 35.5 |
| 16 (CH2) | 29.3 |
| 17 (CH) | 55 |
| 18 (CH3) | 22.3 |
| 19 (CH3) | 14.1 |
| 20 (CH) | 34.1 |
| 21 (CH3) | 19.9 |
| 22 (CH2) | 42.4 |
| 23 (CH) | 71.4 |
| 24 (CH) | 126.1 |
| 25 (C) | 139.3 |
| 26 (CH3) | 26.1 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 29.7 |
| 29 (CH3) | 22.8 |
| 30 (CH3) | 28.4 |
| 1' (CH) | 97.9 |
| 2' (CH) | 73.1 |
| 3' (CH) | 72.7 |
| 4' (CH) | 74 |
| 5' (CH) | 70.3 |
| 6' (CH3) | 18 |
| 1'' (CH) | 101.2 |
| 2'' (CH) | 72.5 |
| 3'' (CH) | 75.2 |
| 4'' (CH) | 73.1 |
| 5'' (CH) | 71.4 |
| 6'' (CH3) | 16.9 |
| 1''' (CH) | 98 |
| 2''' (CH) | 72.6 |
| 3''' (CH) | 72.5 |
| 4''' (CH) | 74.2 |
| 5''' (CH) | 69.8 |
| 6''' (CH3) | 18.2 |
