Spektraris NMR
Physacoztolide C
Common Name: Physacoztolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O7/c1-16-13-24(36-26(33)17(16)2)28(5,34)22-9-8-21-19-14-25-30(37-25)11-6-7-23(32)27(30,4)20(19)10-12-29(21,22)15-35-18(3)31/h6-7,19-22,24-25,34H,8-15H2,1-5H3/t19-,20+,21+,22-,24-,25-,27+,28-,29-,30-/m1/s1
InChIKey: InChIKey=QIBFXWZGBLJTNM-OMWDGGKISA-N
Formula: C30H40O7
Molecular Weight: 512.635542
Exact Mass: 512.277404
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Perez-Castorena, A.L., Oropeza, R.F., Vazquez, A.R., Martinez, M., Maldonado, E. J Nat Prod (2006) 69, 1029-33
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 (C) | 202.7 |
| 2 (CH) | 128.2 |
| 3 (CH) | 146.2 |
| 4 (CH2) | 32.1 |
| 5 (C) | 61.6 |
| 6 (CH) | 61.9 |
| 7 (CH2) | 30.6 |
| 8 (CH) | 29.2 |
| 9 (CH) | 44 |
| 10 (C) | 47.5 |
| 11 (CH2) | 22.9 |
| 12 (CH2) | 34.6 |
| 13 (C) | 44.3 |
| 14 (CH) | 55 |
| 15 (CH2) | 23.3 |
| 16 (CH2) | 21.1 |
| 17 (CH) | 54.1 |
| 18 (CH2) | 61.4 |
| 19 (CH3) | 14.6 |
| 20 (C) | 73.7 |
| 21 (CH3) | 19.6 |
| 22 (CH) | 80.9 |
| 23 (CH2) | 31 |
| 24 (C) | 150.2 |
| 25 (C) | 120.1 |
| 26 (C) | 165.8 |
| 27 (CH3) | 12.1 |
| 28 (CH3) | 20 |
| 18a (C) | 170.5 |
| 18b (CH3) | 20.1 |
