Spektraris NMR
Epimansumbinol
Common Name: Epimansumbinol
Synonyms:
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-MPCFDFRISA-N
Formula: C22H36O1
Molecular Weight: 316.521462
Exact Mass: 316.276616
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Matsuda, H., Morikawa, T., Ando, S., Oominami, H., Murakami, T., Kimura, I., Yoshikawa, M. Bioorg Med Chem (2004) 12, 3037-46
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) | 33.7 |
| 2 (CH2) | 25.5 |
| 3 (CH) | 76.3 |
| 4 (C) | 37.7 |
| 5 (CH) | 49.7 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 35.4 |
| 8 (C) | 40.2 |
| 9 (CH) | 50.7 |
| 10 (C) | 37.5 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 24 |
| 13 (CH) | 47.6 |
| 14 (C) | 53.1 |
| 15 (CH2) | 39.9 |
| 16 (CH) | 129.8 |
| 17 (CH) | 134 |
| 18 (CH3) | 18.4 |
| 19 (CH3) | 16 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 17.2 |
