Spektraris NMR
7,11-Diketolanosterol
Common Name: 7,11-Diketolanosterol
Synonyms: 7,11-Diketolanosterol
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-18(2)10-9-11-19(3)20-12-15-29(7)26-21(31)16-23-27(4,5)24(33)13-14-28(23,6)25(26)22(32)17-30(20,29)8/h10,19-20,23-24,33H,9,11-17H2,1-8H3/t19-,20-,23+,24+,28+,29+,30-/m1/s1
InChIKey: InChIKey=PXRUTJAFHBYALW-OCBIZMEBSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, Z.Q., Chen, G.T., Zhang, J.Q., Huang, H.L., Guan, S.H., Guo, D.A. Helv Chim Acta (2007) 90, 2245-50
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) | 34.1 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 77.7 |
| 4 (C) | 38.9 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 36.5 |
| 7 (C) | 202.2 |
| 8 (C) | 150.7 |
| 9 (C) | 151.8 |
| 10 (C) | 39.8 |
| 11 (C) | 202.5 |
| 12 (CH2) | 51.7 |
| 13 (C) | 48.9 |
| 14 (C) | 47.4 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 49.1 |
| 18 (CH3) | 16.8 |
| 19 (CH3) | 17.58 |
| 20 (CH) | 35.9 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 36.1 |
| 23 (CH2) | 24.8 |
| 24 (CH) | 124.8 |
| 25 (C) | 131.3 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.65 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 15.5 |
| 30 (CH3) | 25.9 |
