Spektraris NMR
Mollugogenol-a
Common Name: Mollugogenol-a
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O4/c1-25(2)22(33)12-14-28(6)21-10-9-20-27(5)13-11-17(26(3,4)34)23(27)18(31)15-29(20,7)30(21,8)16-19(32)24(25)28/h17-24,31-34H,9-16H2,1-8H3/t17-,18+,19+,20-,21-,22+,23-,24+,27-,28-,29-,30-/m1/s1
InChIKey: InChIKey=USLXSBTYECTZSS-HAYDXIIZSA-N
Formula: C30H52O4
Molecular Weight: 476.732616
Exact Mass: 476.38656
NMR Solvent: C+P
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) | 26.7 |
| 3 (CH) | 78.2 |
| 4 (C) | 39 |
| 5 (CH) | 60.1 |
| 6 (CH) | 67.8 |
| 7 (CH2) | 42.7 |
| 8 (C) | 42.6 |
| 9 (CH) | 49.1 |
| 10 (C) | 38.9 |
| 11 (CH2) | 20.6 |
| 12 (CH2) | 22.9 |
| 13 (CH) | 47.2 |
| 14 (C) | 43.4 |
| 15 (CH2) | 45.4 |
| 16 (CH) | 67.3 |
| 17 (CH) | 57.3 |
| 18 (C) | 46.5 |
| 19 (CH2) | 39.4 |
| 20 (CH2) | 25.8 |
| 21 (CH) | 51.9 |
| 22 (C) | 70.9 |
| 23 (CH3) | 30 |
| 24 (CH3) | 16.1 |
| 25 (CH3) | 15.3 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 17.5 |
| 28 (CH3) | 17.9 |
| 29 (CH3) | 30.8 |
| 30 (CH3) | 22.6 |
