Spektraris NMR
Rhoipteleside E
Common Name: Rhoipteleside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H70O12/c1-20(2)16-23(52-37-35(49)33(47)31(45)22(4)51-37)17-21(3)24-12-15-41(8)25-10-11-28-39(5,6)29(44)13-14-40(28,7)30(25)26(18-42(24,41)9)53-38-36(50)34(48)32(46)27(19-43)54-38/h10,16,21-24,26-38,43-50H,11-15,17-19H2,1-9H3/t21-,22+,23+,24+,26-,27-,28+,29-,30-,31+,32-,33-,34+,35-,36-,37+,38-,40+,41-,42+/m1/s1
InChIKey: InChIKey=XFXHBNMDIFAEJZ-NCHUFGDQSA-N
Formula: C42H70O12
Molecular Weight: 766.99962
Exact Mass: 766.486728
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) | 32.7 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 77.1 |
| 4 (C) | 38.7 |
| 5 (CH) | 45.4 |
| 6 (CH2) | 25.2 |
| 7 (CH) | 121.6 |
| 8 (C) | 144.6 |
| 9 (CH) | 54.7 |
| 10 (C) | 37.9 |
| 11 (CH) | 72.3 |
| 12 (CH2) | 44.2 |
| 13 (C) | 45.2 |
| 14 (C) | 52.6 |
| 15 (CH2) | 35.4 |
| 16 (CH2) | 29.2 |
| 17 (CH) | 54.9 |
| 18 (CH3) | 22 |
| 19 (CH3) | 14.3 |
| 20 (CH) | 34.1 |
| 21 (CH3) | 19.9 |
| 22 (CH2) | 42.5 |
| 23 (CH) | 71.4 |
| 24 (CH) | 126.2 |
| 25 (C) | 139.3 |
| 26 (CH3) | 26.1 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 28.9 |
| 29 (CH3) | 22.7 |
| 30 (CH3) | 28.2 |
| 1'' (CH) | 100.4 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 77.9 |
| 4'' (CH) | 72 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 63.4 |
| 1''' (CH) | 97.9 |
| 2''' (CH) | 72.7 |
| 3''' (CH) | 72.6 |
| 4''' (CH) | 74.2 |
| 5''' (CH) | 69.9 |
| 6''' (CH3) | 18.2 |
