Spektraris NMR
Hyrtiosterol
Common Name: Hyrtiosterol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H48O4/c1-16(2)17(3)8-9-18(4)20-10-11-24-27(20,6)15-23(31)26-28(7)14-22(30)25(32)19(5)21(28)12-13-29(24,26)33/h8-9,16,18-26,30-33H,3,10-15H2,1-2,4-7H3/b9-8+/t18-,19+,20+,21+,22-,23+,24-,25+,26+,27-,28+,29-/m1/s1
InChIKey: InChIKey=KGGHMZWSJHYAPD-XBBYEDRRSA-N
Formula: C29H48O4
Molecular Weight: 460.690117
Exact Mass: 460.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Youssef, D.T., Singab, A.N., van Soest, R.W., Fusetani, N. J Nat Prod (2004) 67, 1736-9
Species:
Notes: Family : Steroids, Type : Miscellanea; 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) | 43.8 |
| 2 (CH) | 69.9 |
| 3 (CH) | 77.4 |
| 4 (CH) | 32.6 |
| 5 (CH) | 52.7 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 39.9 |
| 8 (C) | 75.6 |
| 9 (CH) | 58 |
| 10 (C) | 36.9 |
| 11 (CH) | 69.8 |
| 12 (CH2) | 49.1 |
| 13 (C) | 42 |
| 14 (CH) | 60.5 |
| 15 (CH2) | 19.2 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 58.1 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 18.3 |
| 20 (CH) | 39.7 |
| 21 (CH3) | 20.1 |
| 22 (CH) | 135.4 |
| 23 (CH) | 129.5 |
| 24 (C) | 152.9 |
| 25 (CH) | 29.4 |
| 26 (CH3) | 22.4 |
| 27 (CH3) | 22 |
| 28 (CH3) | 14.8 |
| 24a (CH2) | 109.7 |
