Spektraris NMR
Plantagiolides C
Common Name: Plantagiolides C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O10/c1-13-9-21(41-29(36)17(13)12-33)14(2)18-7-8-19-24-20(10-23(30(18,19)5)38-15(3)34)31(6)27(39-16(4)35)25-22(40-25)11-32(31,37)28-26(24)42-28/h14,18-28,33,37H,7-12H2,1-6H3/t14-,18+,19-,20-,21+,22-,23-,24-,25-,26-,27-,28-,30+,31-,32-/m0/s1
InChIKey: InChIKey=JUDIAROJRBXXRT-UJLRICLZSA-N
Formula: C32H44O10
Molecular Weight: 588.686991
Exact Mass: 588.293448
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) | 71.5 |
| 2 (CH) | 50.9 |
| 3 (CH) | 54.9 |
| 4 (CH2) | 32.4 |
| 5 (C) | 69.7 |
| 6 (CH) | 56 |
| 7 (CH) | 53.9 |
| 8 (CH) | 35.8 |
| 9 (CH) | 27.8 |
| 10 (C) | 39.6 |
| 11 (CH2) | 24.4 |
| 12 (CH) | 75.1 |
| 13 (C) | 45.8 |
| 14 (CH) | 44.1 |
| 15 (CH2) | 22.5 |
| 16 (CH2) | 26.3 |
| 17 (CH) | 43.3 |
| 18 (CH3) | 12.2 |
| 19 (CH3) | 16.1 |
| 20 (CH) | 37.9 |
| 21 (CH3) | 11.9 |
| 22 (CH) | 78.3 |
| 23 (CH2) | 29.4 |
| 24 (C) | 152.8 |
| 25 (C) | 125.6 |
| 26 (C) | 166.5 |
| 27 (CH2) | 57 |
| 28 (CH3) | 20.1 |
| 1a (C) | 169.8 |
| 1b (CH3) | 19.9 |
| 12a (C) | 169.9 |
| 12b (CH3) | 21.2 |
