Spektraris NMR
Hydroxyhopane (diplopterol)
Common Name: Hydroxyhopane (diplopterol)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O/c1-25(2)15-9-16-28(6)22(25)14-19-30(8)24(28)11-10-23-27(5)17-12-20(26(3,4)31)21(27)13-18-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22-,23+,24+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=PNJBOAVCVAVRGR-UDCAXGDQSA-N
Formula: C30H52O1
Molecular Weight: 428.734401
Exact Mass: 428.401816
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamaya R., Tanaka Y., Hiyama R., Ageta H. Chem Pharm Bull (1990) 38, 2130
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) | 40.5 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.3 |
| 4 (C) | 33.4 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 19 |
| 7 (CH2) | 33.6 |
| 8 (C) | 42.2 |
| 9 (CH) | 50.7 |
| 10 (C) | 37.6 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 24.5 |
| 13 (CH) | 50.2 |
| 14 (C) | 42.2 |
| 15 (CH2) | 34.8 |
| 16 (CH2) | 22.4 |
| 17 (CH) | 54.7 |
| 18 (C) | 44.4 |
| 19 (CH2) | 41.8 |
| 20 (CH2) | 27 |
| 21 (CH) | 51.6 |
| 22 (C) | 72.5 |
| 23 (CH3) | 33.6 |
| 24 (CH3) | 21.8 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 17 |
| 27 (CH3) | 17.3 |
| 28 (CH3) | 16.5 |
| 29 (CH3) | 29.9 |
| 30 (CH3) | 31.5 |
