Spektraris NMR
Mansumbinone
Common Name: Mansumbinone
Synonyms: Mansumbinone
CAS Registry Number:
InChI: InChI=1S/C22H34O/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/h6-7,15-17H,8-14H2,1-5H3/t15-,16-,17+,20-,21+,22+/m0/s1
InChIKey: InChIKey=SCVQXPPZHIKYMJ-AQUCMXFHSA-N
Formula: C22H34O1
Molecular Weight: 314.50558
Exact Mass: 314.260966
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) | 39.8 |
| 2 (CH2) | 34 |
| 3 (C) | 217.6 |
| 4 (C) | 47.3 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 34.7 |
| 8 (C) | 39.8 |
| 9 (CH) | 50.2 |
| 10 (C) | 37 |
| 11 (CH2) | 22.3 |
| 12 (CH2) | 23.8 |
| 13 (CH) | 47.7 |
| 14 (C) | 52.9 |
| 15 (CH2) | 39.8 |
| 16 (CH) | 129.8 |
| 17 (CH) | 133.9 |
| 18 (CH3) | 17.8 |
| 19 (CH3) | 15.8 |
| 28 (CH3) | 26.6 |
| 29 (CH3) | 20.9 |
| 30 (CH3) | 16.9 |
