Spektraris NMR
Mansumbinol
Common Name: Mansumbinol
Synonyms: Mansumbinol
CAS Registry Number:
InChI: InChI=1S/C22H36O/c1-19(2)16-10-14-22(5)17(20(16,3)13-11-18(19)23)9-8-15-7-6-12-21(15,22)4/h6-7,15-18,23H,8-14H2,1-5H3/t15-,16-,17+,18-,20-,21+,22+/m0/s1
InChIKey: InChIKey=UFUNZTHIOJRTHF-DRAFNHJNSA-N
Formula: C22H36O1
Molecular Weight: 316.521462
Exact Mass: 316.276616
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Provan G.J., Waterman P.G. Phytochemistry (1986) 25, 917-922
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 78.8 |
| 4 (C) | 39 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 35.4 |
| 8 (C) | 39.9 |
| 9 (CH) | 50.9 |
| 10 (C) | 37.4 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 23.9 |
| 13 (CH) | 47.6 |
| 14 (C) | 52.9 |
| 15 (CH2) | 39.9 |
| 16 (CH) | 129.9 |
| 17 (CH) | 134 |
| 18 (CH3) | 18.2 |
| 19 (CH3) | 16 |
| 28 (CH3) | 28 |
| 29 (CH3) | 15.2 |
| 30 (CH3) | 17 |
