Spektraris NMR
Zeorin
Common Name: Zeorin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O2/c1-25(2)14-9-15-28(6)23-11-10-22-27(5)16-12-19(26(3,4)32)20(27)13-17-29(22,7)30(23,8)18-21(31)24(25)28/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=KYBLAIAGFNCVHL-PMVHANJISA-N
Formula: C30H52O2
Molecular Weight: 444.733806
Exact Mass: 444.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Elix J.A., Whitton A.A., Jones A.J. Aust J Chem (1982) 35, 641-7
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) | 40.4 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 43.8 |
| 4 (C) | 33.6 |
| 5 (CH) | 61.1 |
| 6 (CH) | 69.3 |
| 7 (CH2) | 45.5 |
| 8 (C) | 42.9 |
| 9 (CH) | 49.5 |
| 10 (C) | 39.4 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 24 |
| 13 (CH) | 49.8 |
| 14 (C) | 41.9 |
| 15 (CH2) | 34.3 |
| 16 (CH2) | 21.9 |
| 17 (CH) | 54 |
| 18 (C) | 44 |
| 19 (CH2) | 41.3 |
| 20 (CH2) | 26.6 |
| 21 (CH) | 51.1 |
| 22 (C) | 73.9 |
| 23 (CH3) | 36.8 |
| 24 (CH3) | 22.1 |
| 25 (CH3) | 17.1 |
| 26 (CH3) | 18.3 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 16.1 |
| 29 (CH3) | 28.7 |
| 30 (CH3) | 30.9 |
