Spektraris NMR
3beta,9alpha-Dihydroxy-5alpha-lanosta-24-ene-26-one
Common Name: 3beta,9alpha-Dihydroxy-5alpha-lanosta-24-ene-26-one
Synonyms: 3beta,9alpha-Dihydroxy-5alpha-lanosta-24-ene-26-one
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-20(19-31)9-8-10-21(2)22-13-15-28(6)24-12-11-23-26(3,4)25(32)14-16-29(23,7)30(24,33)18-17-27(22,28)5/h9,19,21-25,32-33H,8,10-18H2,1-7H3/b20-9+/t21-,22-,23+,24+,25+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=KICRJBQYQISQJK-PKNYFFNPSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vieira L.M., Kijjoa A., Silva A.M., Mondranondra I.O., Kengthong S., Gales L., Damas A.M., Herz W. Phytochemistry (2004) 65, 393-8
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) | 29.5 |
| 2 (CH2) | 27.31 |
| 3 (CH) | 78.61 |
| 4 (C) | 38.79 |
| 5 (CH) | 45.17 |
| 6 (CH2) | 21.38 |
| 7 (CH2) | 23.72 |
| 8 (CH) | 40.49 |
| 9 (C) | 77.57 |
| 10 (C) | 42.62 |
| 11 (CH2) | 27.92 |
| 12 (CH2) | 29.12 |
| 13 (C) | 45.76 |
| 14 (C) | 47.48 |
| 15 (CH2) | 33.76 |
| 16 (CH2) | 28.02 |
| 17 (CH) | 50.25 |
| 18 (CH3) | 14.61 |
| 19 (CH3) | 16.74 |
| 20 (CH) | 35.9 |
| 21 (CH3) | 18.44 |
| 22 (CH2) | 34.8 |
| 23 (CH2) | 25.96 |
| 24 (CH) | 155.58 |
| 25 (C) | 139.09 |
| 26 (CH) | 195.46 |
| 27 (CH3) | 9.16 |
| 28 (CH3) | 28.27 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 18.28 |
