Spektraris NMR
Stigma-7, 22-dien-3,5,6-triol
Common Name: Stigma-7, 22-dien-3,5,6-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7+/t18-,19?,20-,22+,23-,24-,25+,26+,27+,28-/m0/s1
InChIKey: InChIKey=ARXHRTZAVQOQEU-WXOZNVJMSA-N
Formula: C28H46O3
Molecular Weight: 430.664095
Exact Mass: 430.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Qi, S.H., Zhang, S., Yang, L.H., Qian, P.Y. Nat Prod Res (2008) 22, 154-66
Species:
Notes: Family : Steroids, Type : Campestanes; 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) | 32.6 |
| 2 (CH2) | 33.8 |
| 3 (CH) | 67.5 |
| 4 (CH2) | 40 |
| 5 (C) | 76.1 |
| 6 (CH) | 74.2 |
| 7 (CH) | 120.4 |
| 8 (C) | 141.5 |
| 9 (CH) | 43.8 |
| 10 (C) | 38 |
| 11 (CH2) | 23.5 |
| 12 (CH2) | 40.9 |
| 13 (C) | 43.9 |
| 14 (CH) | 55.2 |
| 15 (CH2) | 22.4 |
| 16 (CH2) | 28.6 |
| 17 (CH) | 56.2 |
| 18 (CH3) | 12.4 |
| 19 (CH3) | 18.7 |
| 20 (CH) | 41.9 |
| 21 (CH3) | 21.4 |
| 22 (CH) | 136.3 |
| 23 (CH) | 132.2 |
| 24 (CH) | 43.7 |
| 25 (CH) | 33.4 |
| 26 (CH3) | 20.2 |
| 27 (CH3) | 19.8 |
| 28 (CH3) | 18.1 |
