Spektraris NMR
Marianine
Common Name: Marianine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O3/c1-19(10-11-20(2)28(5,6)34)21-12-17-31(9)26-22(13-16-30(21,31)8)29(7)15-14-25(33)27(3,4)24(29)18-23(26)32/h19,21,24-25,33-34H,2,10-18H2,1,3-9H3/t19-,21-,24+,25+,29-,30-,31+/m1/s1
InChIKey: InChIKey=UVPFSDRHWXKUSF-FRIHGVDDSA-N
Formula: C31H50O3
Molecular Weight: 470.728065
Exact Mass: 470.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, E., Malik, A., Ferheen, S., Afza, N., Azhar ul, H., Lodhi, M.A., Choudhary, M.I. Chem Pharm Bull (2006) 54, 103-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 35.8 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.7 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 37.9 |
| 7 (C) | 202.7 |
| 8 (C) | 152 |
| 9 (C) | 149.8 |
| 10 (C) | 39.7 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 30.7 |
| 13 (C) | 44.3 |
| 14 (C) | 50 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 28.5 |
| 17 (CH) | 50.5 |
| 18 (CH3) | 16 |
| 19 (CH3) | 20.8 |
| 20 (CH) | 36 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 33.3 |
| 23 (CH2) | 31.3 |
| 24 (C) | 157.8 |
| 25 (C) | 72.6 |
| 26 (CH3) | 30 |
| 27 (CH3) | 30 |
| 28 (CH3) | 28 |
| 29 (CH3) | 16 |
| 30 (CH3) | 17.2 |
| 24a (CH2) | 106.2 |
