Spektraris NMR
Rhoipteleside B
Common Name: Rhoipteleside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H80O16/c1-21(2)17-25(61-42-39(56)36(53)33(50)23(4)59-42)18-22(3)26-13-16-47(9)27-11-12-30-45(6,7)31(64-43-40(57)37(54)34(51)24(5)60-43)14-15-46(30,8)32(27)28(19-48(26,47)10)62-44-41(58)38(55)35(52)29(20-49)63-44/h11,17,22-26,28-44,49-58H,12-16,18-20H2,1-10H3/t22-,23+,24+,25+,26+,28-,29-,30+,31-,32-,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43+,44-,46+,47-,48+/m1/s1
InChIKey: InChIKey=XMQSJTIQNNJJLG-SZPLINEXSA-N
Formula: C48H80O16
Molecular Weight: 913.141062
Exact Mass: 912.544637
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) | 46.2 |
| 6 (CH2) | 25 |
| 7 (CH) | 121.6 |
| 8 (C) | 144.4 |
| 9 (CH) | 54.8 |
| 10 (C) | 38 |
| 11 (CH) | 72.2 |
| 12 (CH2) | 44.3 |
| 13 (C) | 45.1 |
| 14 (C) | 52.5 |
| 15 (CH2) | 35.3 |
| 16 (CH2) | 29.2 |
| 17 (CH) | 54.8 |
| 18 (CH3) | 22.1 |
| 19 (CH3) | 14.3 |
| 20 (CH) | 34 |
| 21 (CH3) | 19.9 |
| 22 (CH2) | 42.4 |
| 23 (CH) | 71.3 |
| 24 (CH) | 126.1 |
| 25 (C) | 139.3 |
| 26 (CH3) | 26.1 |
| 27 (CH3) | 18.6 |
| 28 (CH3) | 29.6 |
| 29 (CH3) | 22.7 |
| 30 (CH3) | 28.2 |
| 1' (CH) | 97.8 |
| 2' (CH) | 73.1 |
| 3' (CH) | 72.6 |
| 4' (CH) | 73.9 |
| 5' (CH) | 70.3 |
| 6' (CH3) | 17.9 |
| 1'' (CH) | 100.5 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 77.8 |
| 4'' (CH) | 72 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 63.3 |
| 1''' (CH) | 98 |
| 2''' (CH) | 72.6 |
| 3''' (CH) | 72.5 |
| 4''' (CH) | 74.2 |
| 5''' (CH) | 69.8 |
| 6''' (CH3) | 18.1 |
