Spektraris NMR
Germanicyl formate
Common Name: Germanicyl formate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O2/c1-26(2)15-16-28(5)17-18-30(7)20(22(28)19-26)9-10-24-29(6)13-11-21(25(32)33)27(3,4)23(29)12-14-31(24,30)8/h19-21,23-24H,9-18H2,1-8H3,(H,32,33)/t20-,21?,23+,24-,28-,29+,30-,31-/m1/s1
InChIKey: InChIKey=QASXNKORYMPGQK-DZNUJODOSA-N
Formula: C31H50O2
Molecular Weight: 454.72866
Exact Mass: 454.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Stevens, J.F., Thart, H., Bolck, A., Zwaving, J.H., Malingre, T.M. Phytochemistry (1994) 35, 389-99
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.6 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 81.1 |
| 4 (C) | 37.7 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 34.5 |
| 8 (C) | 40.7 |
| 9 (CH) | 51.1 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 26.1 |
| 13 (CH) | 38.3 |
| 14 (C) | 43.3 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 37.6 |
| 17 (C) | 34.3 |
| 18 (C) | 142.6 |
| 19 (CH) | 129.7 |
| 20 (C) | 32.3 |
| 21 (CH2) | 33.3 |
| 22 (CH2) | 37.3 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 16 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 14.5 |
| 28 (CH3) | 25.2 |
| 29 (CH3) | 31.2 |
| 30 (CH3) | 29.1 |
| 3a (C) | 161 |
