Spektraris NMR
Progenin
Common Name: Progenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H58O9/c1-29(2)22(43-28-25(40)24(39)20(38)16-42-28)9-11-35-17-34(35)13-12-31(5)27(33(7)10-8-23(44-33)30(3,4)41)19(37)15-32(31,6)21(34)14-18(36)26(29)35/h18-28,36-41H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23+,24-,25+,26-,27+,28-,31+,32-,33-,34-,35+/m0/s1
InChIKey: InChIKey=VXHVFDQYSSFKAR-VUCCKYHTSA-N
Formula: C35H58O9
Molecular Weight: 622.830964
Exact Mass: 622.408083
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Gigoshvili, T.I., Alaniya, M.D., Tsitsishvili, V.G., Foure, R., Debrauver, L., Kemertelidze, E.P. Chem Nat Compd (2003) 39, 373-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.8 |
| 2 (CH2) | 29.8 |
| 3 (CH) | 88.7 |
| 4 (C) | 42.45 |
| 5 (CH) | 54 |
| 6 (CH) | 68.1 |
| 7 (CH2) | 38.81 |
| 8 (CH) | 47.3 |
| 9 (C) | 20.9 |
| 10 (C) | 29.9 |
| 11 (CH2) | 26.31 |
| 12 (CH2) | 33.45 |
| 13 (C) | 45.1 |
| 14 (C) | 46.21 |
| 15 (CH2) | 46.81 |
| 16 (CH) | 72.9 |
| 17 (CH) | 58.48 |
| 18 (CH3) | 21.68 |
| 19 (CH2) | 31.02 |
| 20 (C) | 86.7 |
| 21 (CH3) | 28.6 |
| 22 (CH2) | 34.97 |
| 23 (CH2) | 26.19 |
| 24 (CH) | 85 |
| 25 (C) | 70.3 |
| 26 (CH3) | 27.17 |
| 27 (CH3) | 28.21 |
| 28 (CH3) | 29.4 |
| 29 (CH3) | 20.28 |
| 30 (CH3) | 16.05 |
| 1' (CH) | 107.5 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.2 |
| 5' (CH2) | 66.9 |
