Spektraris NMR
21-Hydroxylanosta-8,24-dien-3-one
Common Name: 21-Hydroxylanosta-8,24-dien-3-one
Synonyms: 21-Hydroxylanosta-8,24-dien-3-one
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-20(2)9-8-10-21(19-31)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,21-22,25,31H,8,10-19H2,1-7H3/t21-,22+,25-,28+,29+,30-/m0/s1
InChIKey: InChIKey=OEQYASIYRZNOIT-KTKIDDBTSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Keller, A.C., Maillard, M.P., Hostettmann, K. Phytochemistry (1996) 41, 1041-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 35.9 |
| 2 (CH2) | 34.4 |
| 3 (C) | 217 |
| 4 (C) | 47.2 |
| 5 (CH) | 51 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 26.2 |
| 8 (C) | 133 |
| 9 (C) | 135.1 |
| 10 (C) | 36.8 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 29.6 |
| 13 (C) | 44.1 |
| 14 (C) | 49.8 |
| 15 (CH2) | 30.7 |
| 16 (CH2) | 27.5 |
| 17 (CH) | 44.2 |
| 18 (CH3) | 16 |
| 19 (CH3) | 18.6 |
| 20 (CH) | 42.7 |
| 21 (CH2) | 62.3 |
| 22 (CH2) | 30.3 |
| 23 (CH2) | 24.8 |
| 24 (CH) | 124.8 |
| 25 (C) | 132.2 |
| 26 (CH3) | 25.6 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 26 |
| 29 (CH3) | 21.2 |
| 30 (CH3) | 24.3 |
