Spektraris NMR
Plantagiolides D
Common Name: Plantagiolides D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O10/c1-13(20-11-29(5,36)14(2)28(35)41-20)17-8-9-18-23-19(10-22(30(17,18)6)38-15(3)33)31(7)26(39-16(4)34)24-21(40-24)12-32(31,37)27-25(23)42-27/h13-14,17-27,36-37H,8-12H2,1-7H3/t13-,14-,17+,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,29+,30+,31-,32-/m0/s1
InChIKey: InChIKey=UBZJVFYBDALJKJ-VNYRJWHDSA-N
Formula: C32H46O10
Molecular Weight: 590.702873
Exact Mass: 590.309098
NMR Solvent: C+M
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) | 71.5 |
| 2 (CH) | 50.8 |
| 3 (CH) | 54.8 |
| 4 (CH2) | 32.1 |
| 5 (C) | 69.8 |
| 6 (CH) | 55.8 |
| 7 (CH) | 54 |
| 8 (CH) | 35.6 |
| 9 (CH) | 27.7 |
| 10 (C) | 39.4 |
| 11 (CH2) | 25.9 |
| 12 (CH) | 75.2 |
| 13 (C) | 45.6 |
| 14 (CH) | 44 |
| 15 (CH2) | 22.3 |
| 16 (CH2) | 24.2 |
| 17 (CH) | 43.1 |
| 18 (CH3) | 11.7 |
| 19 (CH3) | 15.8 |
| 20 (CH) | 38 |
| 21 (CH3) | 11.3 |
| 22 (CH) | 77.9 |
| 23 (CH2) | 35.2 |
| 24 (C) | 68.7 |
| 25 (CH) | 45.9 |
| 26 (C) | 175 |
| 27 (CH3) | 8.7 |
| 28 (CH3) | 27.2 |
| 1a (C) | 170.1 |
| 1b (CH3) | 19.8 |
| 12a (C) | 170.3 |
| 12b (CH3) | 20.8 |
