Spektraris NMR
1a,11a,22-Trihydroxyhopane
Common Name: 1a,11a,22-Trihydroxyhopane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O3/c1-25(2)13-12-23(32)30(8)21(25)11-16-29(7)24(30)20(31)17-22-27(5)14-9-18(26(3,4)33)19(27)10-15-28(22,29)6/h18-24,31-33H,9-17H2,1-8H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=WTIUITBIDPOHKN-RUKKCGOYSA-N
Formula: C30H52O3
Molecular Weight: 460.733211
Exact Mass: 460.391646
NMR Solvent: C5D5N
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 (CH) | 73.1 |
| 2 (CH2) | 25.8 |
| 3 (CH2) | 36.7 |
| 4 (C) | 33.8 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 35.6 |
| 8 (C) | 43.3 |
| 9 (CH) | 47.4 |
| 10 (C) | 43.3 |
| 11 (CH) | 68.6 |
| 12 (CH2) | 33.8 |
| 13 (CH) | 49.2 |
| 14 (C) | 42.4 |
| 15 (CH2) | 34.7 |
| 16 (CH2) | 22.4 |
| 17 (CH) | 54.7 |
| 18 (C) | 44.2 |
| 19 (CH2) | 41.6 |
| 20 (CH2) | 27 |
| 21 (CH) | 51.5 |
| 22 (C) | 72.4 |
| 23 (CH3) | 33.7 |
| 24 (CH3) | 21.7 |
| 25 (CH3) | 18.1 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 17.5 |
| 28 (CH3) | 16.2 |
| 29 (CH3) | 29.9 |
| 30 (CH3) | 31.5 |
