Spektraris NMR
Machaerogenin
Common Name: Machaerogenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-25(2)20-9-12-29(6)21(27(20,4)11-10-22(25)32)8-7-18-19-15-26(3,17-31)23-16-30(19,24(33)34-23)14-13-28(18,29)5/h7,19-23,31-32H,8-17H2,1-6H3/t19-,20-,21+,22-,23-,26-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=CHTCCKSXBYVSBJ-OGKPSKQVSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Koyama K., Yama T., Kinoshita K., Takahashi K., Kondo N., Yuasa H. J Nat Prod (1993) 56, 2201
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) | 28 |
| 3 (CH) | 78 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 32.8 |
| 8 (C) | 39.8 |
| 9 (CH) | 47.8 |
| 10 (C) | 37.6 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.4 |
| 13 (C) | 141.1 |
| 14 (C) | 42.2 |
| 15 (CH2) | 24 |
| 16 (CH2) | 26.6 |
| 17 (C) | 44.1 |
| 18 (CH) | 40.2 |
| 19 (CH2) | 30 |
| 20 (C) | 38.6 |
| 21 (CH) | 80.4 |
| 22 (CH2) | 36.6 |
| 23 (CH3) | 28.6 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 23.5 |
| 28 (C) | 181.9 |
| 29 (CH3) | 22.1 |
| 30 (CH2) | 68 |
