Spektraris NMR
Physacoztolide B
Common Name: Physacoztolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O7/c1-15-12-23(35-24(32)16(15)2)26(4,33)20-8-7-19-17-13-22(31)28(34)10-5-6-21(30)25(28,3)18(17)9-11-27(19,20)14-29/h5-6,17-20,22-23,29,31,33-34H,7-14H2,1-4H3/t17-,18+,19+,20-,22-,23-,25+,26-,27-,28+/m1/s1
InChIKey: InChIKey=GXNOESKMNSBHCJ-OQQHPQTBSA-N
Formula: C28H40O7
Molecular Weight: 488.61407
Exact Mass: 488.277404
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) | 204 |
| 2 (CH) | 127.5 |
| 3 (CH) | 142.3 |
| 4 (CH2) | 35.2 |
| 5 (C) | 76.3 |
| 6 (CH) | 72.8 |
| 7 (CH2) | 33.1 |
| 8 (CH) | 29.4 |
| 9 (CH) | 40.8 |
| 10 (C) | 51 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 34.4 |
| 13 (C) | 47 |
| 14 (CH) | 54.9 |
| 15 (CH2) | 23.3 |
| 16 (CH2) | 20.9 |
| 17 (CH) | 55.5 |
| 18 (CH2) | 57.6 |
| 19 (CH3) | 15.1 |
| 20 (C) | 73.9 |
| 21 (CH3) | 20.8 |
| 22 (CH) | 80.3 |
| 23 (CH2) | 31 |
| 24 (C) | 149.9 |
| 25 (C) | 120.2 |
| 26 (C) | 165.7 |
| 27 (CH3) | 12.1 |
| 28 (CH3) | 20 |
