Spektraris NMR
Plantagiolides E
Common Name: Plantagiolides E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O11/c1-13(19-11-28(4,36)31(7,37)27(35)42-19)16-8-9-17-22-18(10-21(29(16,17)5)39-14(2)33)30(6)25(40-15(3)34)23-20(41-23)12-32(30,38)26-24(22)43-26/h13,16-26,36-38H,8-12H2,1-7H3/t13-,16+,17-,18-,19+,20-,21-,22-,23-,24-,25-,26-,28+,29+,30-,31-,32-/m0/s1
InChIKey: InChIKey=CTRGSVZFNMROOQ-DGUXPEIDSA-N
Formula: C32H46O11
Molecular Weight: 606.702278
Exact Mass: 606.304012
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liu, H.Y., Ni, W., Xie, B.B., Zhou, L.Y., Hao, X.J., Wang, X., Chen, C.X. Chem Pharm Bull (2006) 54, 992-5
Species:
Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 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 (CH) | 72.8 |
| 2 (CH) | 52.1 |
| 3 (CH) | 56 |
| 4 (CH2) | 33.5 |
| 5 (C) | 70.8 |
| 6 (CH) | 57.1 |
| 7 (CH) | 54.8 |
| 8 (CH) | 36.6 |
| 9 (CH) | 28.9 |
| 10 (C) | 40.7 |
| 11 (CH2) | 25.1 |
| 12 (CH) | 76.2 |
| 13 (C) | 46.5 |
| 14 (CH) | 45.3 |
| 15 (CH2) | 23.2 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 44.1 |
| 18 (CH3) | 12.5 |
| 19 (CH3) | 16.6 |
| 20 (CH) | 39.6 |
| 21 (CH3) | 12.5 |
| 22 (CH) | 79.3 |
| 23 (CH2) | 31.6 |
| 24 (C) | 72.8 |
| 25 (C) | 75.7 |
| 26 (C) | 176.4 |
| 27 (CH3) | 19.2 |
| 28 (CH3) | 24.2 |
| 1a (C) | 171.1 |
| 1b (CH3) | 20.8 |
| 12a (C) | 171.1 |
| 12b (CH3) | 21.5 |
