Spektraris NMR
21-Hydroxylanosta-7,9(11),24-trien-3-one
Common Name: 21-Hydroxylanosta-7,9(11),24-trien-3-one
Synonyms: 21-Hydroxylanosta-7,9(11),24-trien-3-one
CAS Registry Number:
InChI: InChI=1S/C30H46O2/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/h9,11,14,21-22,25,31H,8,10,12-13,15-19H2,1-7H3/t21-,22+,25-,28+,29+,30-/m0/s1
InChIKey: InChIKey=FQQMLVSIEXRTOS-KTKIDDBTSA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ràsecke, J., Kànig, W.A. Phytochemistry (1999) 52, 1621-7
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) | 36.56 |
| 2 (CH2) | 34.76 |
| 3 (C) | 216.66 |
| 4 (C) | 47.41 |
| 5 (CH) | 50.63 |
| 6 (CH2) | 23.63 |
| 7 (CH) | 120.06 |
| 8 (C) | 142.73 |
| 9 (C) | 144.61 |
| 10 (C) | 37.17 |
| 11 (CH) | 117 |
| 12 (CH2) | 37.12 |
| 13 (C) | 43.48 |
| 14 (C) | 50.35 |
| 15 (CH2) | 31.36 |
| 16 (CH2) | 27.43 |
| 17 (CH) | 44.87 |
| 18 (CH3) | 15.97 |
| 19 (CH3) | 21.99 |
| 20 (CH) | 42.66 |
| 21 (CH2) | 62.43 |
| 22 (CH2) | 29.71 |
| 23 (CH2) | 24.93 |
| 24 (CH) | 124.82 |
| 25 (C) | 131.36 |
| 26 (CH3) | 17.67 |
| 27 (CH3) | 25.67 |
| 28 (CH3) | 22.4 |
| 29 (CH3) | 25.32 |
| 30 (CH3) | 25.48 |
