Spektraris NMR
Plantagiolides B
Common Name: Plantagiolides B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O11/c1-12-7-20(42-29(37)16(12)11-33)13(2)24-19(36)8-17-23-18(9-22(30(17,24)5)39-14(3)34)31(6)27(40-15(4)35)25-21(41-25)10-32(31,38)28-26(23)43-28/h13,17-28,33,36,38H,7-11H2,1-6H3/t13-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27+,28+,30-,31+,32+/m1/s1
InChIKey: InChIKey=LIEJWRQNKMQXKO-LVOOKTNHSA-N
Formula: C32H44O11
Molecular Weight: 604.686396
Exact Mass: 604.288362
NMR Solvent: CDCl3
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) | 71.6 |
| 2 (CH) | 51 |
| 3 (CH) | 55 |
| 4 (CH2) | 32.5 |
| 5 (C) | 69.9 |
| 6 (CH) | 56.2 |
| 7 (CH) | 53.9 |
| 8 (CH) | 35.6 |
| 9 (CH) | 28.1 |
| 10 (C) | 39.8 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 75.4 |
| 13 (C) | 46 |
| 14 (CH) | 42.5 |
| 15 (CH2) | 35.4 |
| 16 (CH) | 70.6 |
| 17 (CH) | 49.5 |
| 18 (CH3) | 13.1 |
| 19 (CH3) | 16.2 |
| 20 (CH) | 33 |
| 21 (CH3) | 12.1 |
| 22 (CH) | 79 |
| 23 (CH2) | 31.2 |
| 24 (C) | 153.2 |
| 25 (C) | 125.7 |
| 26 (C) | 166.6 |
| 27 (CH2) | 57 |
| 28 (CH3) | 20.1 |
| 1a (C) | 169.9 |
| 1b (CH3) | 20.2 |
| 12a (C) | 170.1 |
| 12b (CH3) | 21.3 |
