Spektraris NMR
Adianene
Common Name: Adianene
Synonyms: Adianene
CAS Registry Number:
InChI: InChI=1S/C30H50/c1-20(2)21-11-13-24-27(21,5)16-18-30(8)25-14-12-22-23(10-9-15-26(22,3)4)28(25,6)17-19-29(24,30)7/h12,20-21,23-25H,9-11,13-19H2,1-8H3/t21-,23-,24-,25+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=WZDKBHGEBSMIQO-CTXSZRMBSA-N
Formula: C30H50
Molecular Weight: 410.719115
Exact Mass: 410.391252
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Masuda K., Kamaya R., Ikegami S., Ikeshima Y., Ageta H. Chem Pharm Bull (1989) 37, 1673
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Fernanes; 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) | 23.8 |
| 2 (CH2) | 21.9 |
| 3 (CH2) | 40.9 |
| 4 (C) | 34.8 |
| 5 (C) | 145.6 |
| 6 (CH) | 117.6 |
| 7 (CH2) | 34.3 |
| 8 (CH) | 51.8 |
| 9 (C) | 35.7 |
| 10 (CH) | 44.3 |
| 11 (CH2) | 25.9 |
| 12 (CH2) | 29.2 |
| 13 (C) | 38.7 |
| 14 (C) | 39.4 |
| 15 (CH2) | 29.2 |
| 16 (CH2) | 35.5 |
| 17 (C) | 42.9 |
| 18 (CH) | 51.9 |
| 19 (CH2) | 20 |
| 20 (CH2) | 28.4 |
| 21 (CH) | 60.1 |
| 22 (CH) | 30.8 |
| 23 (CH3) | 30 |
| 24 (CH3) | 29.8 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 15.1 |
| 28 (CH3) | 15.8 |
| 29 (CH3) | 22 |
| 30 (CH3) | 22.9 |
