Spektraris NMR
1a,11a,22,25-Tetrahydroxyhopane
Common Name: 1a,11a,22,25-Tetrahydroxyhopane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O4/c1-25(2)12-11-23(33)30(17-31)21(25)10-15-29(7)24(30)20(32)16-22-27(5)13-8-18(26(3,4)34)19(27)9-14-28(22,29)6/h18-24,31-34H,8-17H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=OEKDVCVHTSEFMM-RUKKCGOYSA-N
Formula: C30H52O4
Molecular Weight: 476.732616
Exact Mass: 476.38656
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tanaka N., Wada H., Kojima M., Murakami T., Saiki Y., Chen C.M., Iitaka Y. Chem Pharm Bull (1987) 35, 4016
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) | 71.5 |
| 2 (CH2) | 26.3 |
| 3 (CH2) | 36.2 |
| 4 (C) | 33.4 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 19 |
| 7 (CH2) | 35 |
| 8 (C) | 42.9 |
| 9 (CH) | 48 |
| 10 (C) | 48.2 |
| 11 (CH) | 68.8 |
| 12 (CH2) | 35 |
| 13 (CH) | 49 |
| 14 (C) | 43.5 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 22.3 |
| 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) | 34.1 |
| 24 (CH3) | 22.8 |
| 25 (CH2) | 63.3 |
| 26 (CH3) | 18.5 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 16.4 |
| 29 (CH3) | 29.8 |
| 30 (CH3) | 31.4 |
