Spektraris NMR
Chantriolide C
Common Name: Chantriolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H54O15/c1-14-9-22(51-34(45)18(14)13-47-35-29(44)28(43)27(42)24(12-39)52-35)15(2)19-7-8-20-26-21(10-25(36(19,20)5)48-16(3)40)37(6)32(49-17(4)41)30-23(50-30)11-38(37,46)33-31(26)53-33/h15,19-33,35,39,42-44,46H,7-13H2,1-6H3/t15-,19+,20-,21-,22+,23-,24+,25-,26-,27+,28-,29+,30-,31-,32-,33-,35+,36+,37-,38-/m0/s1
InChIKey: InChIKey=QKJMGMVEODCHCQ-PKIWOSNNSA-N
Formula: C38H54O15
Molecular Weight: 750.827839
Exact Mass: 750.346271
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, L., Liu, J.Y., Xu, L.Z., Yang, S.L. Chem Pharm Bull (2009) 57, 1126-8
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) | 71.7 |
| 2 (CH) | 51.5 |
| 3 (CH) | 55 |
| 4 (CH2) | 32.6 |
| 5 (C) | 70.1 |
| 6 (CH) | 56.2 |
| 7 (CH) | 54.1 |
| 8 (CH) | 36 |
| 9 (CH) | 28 |
| 10 (C) | 39.8 |
| 11 (CH2) | 24.6 |
| 12 (CH) | 75.3 |
| 13 (C) | 46.1 |
| 14 (CH) | 44.3 |
| 15 (CH2) | 22.7 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 43.5 |
| 18 (CH3) | 12.4 |
| 19 (CH3) | 16.3 |
| 20 (CH) | 38.1 |
| 21 (CH3) | 12.4 |
| 22 (CH) | 78.2 |
| 23 (CH2) | 29.8 |
| 24 (C) | 157 |
| 25 (C) | 122.9 |
| 26 (C) | 166.2 |
| 27 (CH2) | 63 |
| 28 (CH3) | 20.2 |
| 1' (CH) | 102.6 |
| 2' (CH) | 73.3 |
| 3' (CH) | 76.4 |
| 4' (CH) | 70.1 |
| 5' (CH) | 75.8 |
| 6' (CH2) | 62 |
| 1a (C) | 171 |
| 1b (CH3) | 20.7 |
| 12a (C) | 170.1 |
| 12b (CH3) | 21.4 |
