Spektraris NMR
Stigmast-4-en-3-one
Common Name: Stigmast-4-en-3-one
Synonyms: Stigmast-4-en-3-one
CAS Registry Number:
InChI: InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey: InChIKey=RUVUHIUYGJBLGI-XJZKHKOHSA-N
Formula: C29H48O1
Molecular Weight: 412.691902
Exact Mass: 412.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kitajima, J., Kimizuka, K., Tanaka, Y. Chem Pharm Bull (1998) 46, 1408-11
Species:
Notes: Family : Steroids, Type : Stigmastanes; 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) | 35.68 |
| 2 (CH2) | 33.89 |
| 3 (C) | 198.89 |
| 4 (CH) | 123.64 |
| 5 (C) | 171.01 |
| 6 (CH2) | 32.86 |
| 7 (CH2) | 32.07 |
| 8 (CH) | 35.73 |
| 9 (CH) | 53.84 |
| 10 (C) | 38.53 |
| 11 (CH2) | 21.03 |
| 12 (CH2) | 39.48 |
| 13 (C) | 42.35 |
| 14 (CH) | 55.94 |
| 15 (CH2) | 24.12 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 56.08 |
| 18 (CH3) | 11.98 |
| 19 (CH3) | 17.38 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18.72 |
| 22 (CH2) | 34.01 |
| 23 (CH2) | 25.99 |
| 24 (CH) | 45.8 |
| 25 (CH) | 29.11 |
| 26 (CH3) | 19.81 |
| 27 (CH3) | 19.18 |
| 24a (CH2) | 23.1 |
| 24b (CH3) | 11.14 |
