Spektraris NMR
Mollugogenol-b
Common Name: Mollugogenol-b
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-18(2)19-11-14-27(5)20(19)12-16-29(7)22(27)9-10-23-28(6)15-13-24(32)26(3,4)25(28)21(31)17-30(23,29)8/h12,16,18,21-25,31-32H,9-11,13-15,17H2,1-8H3/t21-,22+,23+,24-,25-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=VUBKTAWHNLXBDM-YBYRXINHSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hamburger M., Dudan G., Nair A.G.R., Jayaprakasam R., Hostettmann K. Phytochemistry (1989) 28, 1767
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 |
| 3 (CH) | 78.7 |
| 4 (C) | 39.4 |
| 5 (CH) | 60.8 |
| 6 (CH) | 68.9 |
| 7 (CH2) | 40.2 |
| 8 (C) | 42.5 |
| 9 (CH) | 50 |
| 10 (C) | 39.2 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 22.2 |
| 13 (CH) | 46.6 |
| 14 (C) | 45.9 |
| 15 (CH) | 119.8 |
| 16 (CH) | 134.5 |
| 17 (C) | 138.7 |
| 18 (C) | 47.9 |
| 19 (CH2) | 45.7 |
| 20 (CH2) | 28.2 |
| 21 (C) | 140.8 |
| 22 (CH) | 26.5 |
| 23 (CH3) | 30.9 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 17.4 |
| 28 (CH3) | 20.4 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 21.3 |
