Spektraris NMR
22-Hydroxyhopan-7b-acetate
Common Name: 22-Hydroxyhopan-7b-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O3/c1-20(33)35-26-19-25-27(2,3)15-10-16-30(25,7)24-12-11-23-29(6)17-13-21(28(4,5)34)22(29)14-18-31(23,8)32(24,26)9/h21-26,34H,10-19H2,1-9H3/t21-,22-,23+,24+,25-,26-,29-,30+,31+,32-/m0/s1
InChIKey: InChIKey=PEGGYZGIHAGHMO-PCCHAIRJSA-N
Formula: C32H54O3
Molecular Weight: 486.770564
Exact Mass: 486.407296
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wilkins A.L., Ronaldson K.J., Jager P.M., Bird P.W. Aust J Chem (1987) 40, 1713
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) | 40.1 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 41.7 |
| 4 (C) | 33.1 |
| 5 (CH) | 52.7 |
| 6 (CH2) | 25.7 |
| 7 (CH) | 75.9 |
| 8 (C) | 46.4 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.3 |
| 11 (CH2) | 20.4 |
| 12 (CH2) | 23.9 |
| 13 (CH) | 50 |
| 14 (C) | 43.2 |
| 15 (CH2) | 36.6 |
| 16 (CH2) | 22.3 |
| 17 (CH) | 53.3 |
| 18 (C) | 44.1 |
| 19 (CH2) | 41.5 |
| 20 (CH2) | 26.4 |
| 21 (CH) | 51.1 |
| 22 (C) | 73.8 |
| 23 (CH3) | 33.1 |
| 24 (CH3) | 21.4 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 12.4 |
| 27 (CH3) | 17.8 |
| 28 (CH3) | 16 |
| 29 (CH3) | 28.8 |
| 30 (CH3) | 30.9 |
| 7a (C) | 170.4 |
| 7b (CH3) | 21.9 |
