Spektraris NMR
stigmasterol
Common Name: stigmasterol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H50O/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/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey: InChIKey=KZJWDPNRJALLNS-VJSFXXLFSA-N
Formula: C29H50O1
Molecular Weight: 414.707784
Exact Mass: 414.386166
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) | 37.27 |
| 2 (CH2) | 31.62 |
| 3 (CH) | 71.68 |
| 4 (CH2) | 42.29 |
| 5 (C) | 140.67 |
| 6 (CH) | 121.58 |
| 7 (CH2) | 31.86 |
| 8 (CH) | 31.86 |
| 9 (CH) | 50.14 |
| 10 (C) | 36.49 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 39.76 |
| 13 (C) | 42.39 |
| 14 (CH) | 56.72 |
| 15 (CH2) | 24.26 |
| 16 (CH2) | 28.21 |
| 17 (CH) | 56.03 |
| 18 (CH3) | 11.98 |
| 19 (CH3) | 19.34 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18.76 |
| 22 (CH2) | 33.91 |
| 23 (CH2) | 26.11 |
| 24 (CH) | 45.8 |
| 25 (CH) | 29.18 |
| 26 (CH3) | 19.78 |
| 27 (CH3) | 19.14 |
| 24a (CH2) | 23.04 |
| 24b (CH3) | 11.84 |
