Spektraris NMR
Armatinol A
Common Name: Armatinol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-18(2)19(3)7-8-20(4)24-9-10-25-23-15-27-30(34-27)16-22(32)11-14-29(30,17-33-21(5)31)26(23)12-13-28(24,25)6/h18,20,22-27,32H,3,7-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-/m1/s1
InChIKey: InChIKey=GRJLJZNDSQXXQB-BVNPTOFLSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El-Gamal, A.A., Wang, S.K., Dai, C.F., Duh, C.Y. J Nat Prod (2004) 67, 1455-8
Species:
Notes: Family : Steroids, Type : Ergostanes; 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) | 32.5 |
| 2 (CH2) | 31.3 |
| 3 (CH) | 68.8 |
| 4 (CH2) | 42.7 |
| 5 (C) | 61 |
| 6 (CH) | 61.4 |
| 7 (CH2) | 32.9 |
| 8 (CH) | 30.4 |
| 9 (CH) | 50.2 |
| 10 (C) | 37.9 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 40 |
| 13 (C) | 43.4 |
| 14 (CH) | 56.5 |
| 15 (CH2) | 24.2 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 56 |
| 18 (CH3) | 11.8 |
| 19 (CH2) | 66 |
| 20 (CH) | 35.8 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 34.7 |
| 23 (CH2) | 31 |
| 24 (C) | 156.9 |
| 25 (CH) | 33.9 |
| 26 (CH3) | 21.9 |
| 27 (CH3) | 21.9 |
| 19a (C) | 171.1 |
| 19b (CH3) | 21.4 |
| 24a (CH2) | 106 |
