Spektraris NMR
Spergulagenin-a
Common Name: Spergulagenin-a
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-17(31)26(4)13-14-28(6)23(26)19(33)16-30(8)24(28)18(32)15-21-27(5)11-10-22(34)25(2,3)20(27)9-12-29(21,30)7/h18-24,32-34H,9-16H2,1-8H3/t18-,19+,20+,21-,22+,23+,24-,26+,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=AWCCLWPHALOMSP-JCIKFPHQSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Patra A., Mitra A.K., Chatterjee T.K., Barua A.K. Org Magn Reson (1981) 17, 148
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 38.5 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 76.9 |
| 4 (C) | 38.5 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 33 |
| 8 (C) | 41 |
| 9 (CH) | 48.3 |
| 10 (C) | 36.5 |
| 11 (CH2) | 32 |
| 12 (CH) | 64.2 |
| 13 (CH) | 54.6 |
| 14 (C) | 44.8 |
| 15 (CH2) | 44.8 |
| 16 (CH) | 67.5 |
| 17 (CH) | 62.9 |
| 18 (C) | 45.1 |
| 19 (CH2) | 44.5 |
| 20 (CH2) | 36.8 |
| 21 (C) | 52.3 |
| 22 (C) | 213.8 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 15.8 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 17.3 |
| 28 (CH3) | 18.6 |
| 29 (CH3) | 20.2 |
| 30 (CH3) | 29.5 |
