Spektraris NMR
22,25-Dihydroxy-1-oxohopane 25-acetate
Common Name: 22,25-Dihydroxy-1-oxohopane 25-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O4/c1-20(33)36-19-32-23(27(2,3)15-14-26(32)34)13-18-31(8)25(32)10-9-24-29(6)16-11-21(28(4,5)35)22(29)12-17-30(24,31)7/h21-25,35H,9-19H2,1-8H3/t21-,22-,23-,24+,25-,29-,30+,31+,32-/m0/s1
InChIKey: InChIKey=NXHKDKJJNBZXAA-CKJKFGLDSA-N
Formula: C32H52O4
Molecular Weight: 500.754088
Exact Mass: 500.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka N., Wada H., Kojima M., Murakami T., Saiki Y., Chen C.M., Iitaka Y. Chem Pharm Bull (1987) 38, 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 (C) | 213.4 |
| 2 (CH2) | 36.9 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.2 |
| 5 (CH) | 56.9 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 32.5 |
| 8 (C) | 42.5 |
| 9 (CH) | 41.2 |
| 10 (C) | 55.4 |
| 11 (CH2) | 23.8 |
| 12 (CH2) | 24.2 |
| 13 (CH) | 50.1 |
| 14 (C) | 41.9 |
| 15 (CH2) | 34.4 |
| 16 (CH2) | 21.9 |
| 17 (CH) | 54 |
| 18 (C) | 44.1 |
| 19 (CH2) | 41.2 |
| 20 (CH2) | 26.6 |
| 21 (CH) | 51.1 |
| 22 (C) | 73.9 |
| 23 (CH3) | 32.4 |
| 24 (CH3) | 23.2 |
| 25 (CH2) | 63.5 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 17 |
| 28 (CH3) | 16.1 |
| 29 (CH3) | 28.7 |
| 30 (CH3) | 30.9 |
| 25a (C) | 170.8 |
| 25b (CH3) | 21.1 |
