Spektraris NMR
Stigmast-4-ene-3,6-dione
Common Name: Stigmast-4-ene-3,6-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,28-,29-/m1/s1
InChIKey: InChIKey=UVFOCYGYACXLAY-ZDQUCUCBSA-N
Formula: C29H46O2
Molecular Weight: 426.675426
Exact Mass: 426.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, C.C., Syu, W.J., Li, S.Y., Lin, C.H., Lee, G.H., Sun, C.M. J Nat Prod (2002) 65, 1857-62
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) | 35.5 |
| 2 (CH2) | 34 |
| 3 (C) | 199.5 |
| 4 (CH) | 125.4 |
| 5 (C) | 161.1 |
| 6 (C) | 202.3 |
| 7 (CH2) | 46.8 |
| 8 (CH) | 34.2 |
| 9 (CH) | 51 |
| 10 (C) | 39.8 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 39.1 |
| 13 (C) | 42.5 |
| 14 (CH) | 56.5 |
| 15 (CH2) | 24 |
| 16 (CH2) | 28 |
| 17 (CH) | 55.9 |
| 18 (CH3) | 11.9 |
| 19 (CH3) | 17.5 |
| 20 (CH) | 36 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 33.8 |
| 23 (CH2) | 26 |
| 24 (CH) | 45.8 |
| 25 (CH) | 29.1 |
| 26 (CH3) | 19 |
| 27 (CH3) | 19.8 |
| 24a (CH2) | 23.1 |
| 24b (CH3) | 12 |
