Spektraris NMR
Sch 599473
Common Name: Sch 599473
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O5S/c1-18-10-11-23-24(3,4)13-7-14-25(23,5)21(18)16-22(30-31(26,27)28)19(2)8-6-9-20-12-15-29-17-20/h12,15,17,19,22-23H,6-11,13-14,16H2,1-5H3,(H,26,27,28)/t19-,22+,23+,25-/m1/s1
InChIKey: InChIKey=YICNPTBJXHDYCL-HXNUEKDGSA-N
Formula: C25H40O5S1
Molecular Weight: 452.649137
Exact Mass: 452.259645
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Yang, S.W., Chan, T.M., Pomponi, S.A., Gonsiorek, W., Chen, G., Wright, A.E., Hipkin, W., Patel, M., Gullo, V., Pramanik, B., Zavodny, P., Chu, M. J Antibiot (2003) 56, 783-6
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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 (CH2) | 36.9 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 41.4 |
| 4 (C) | 33.1 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.4 |
| 8 (C) | 127 |
| 9 (C) | 137.3 |
| 10 (C) | 38.5 |
| 11 (CH2) | 28.5 |
| 12 (CH) | 79.8 |
| 13 (CH) | 34.8 |
| 14 (CH2) | 31 |
| 15 (CH2) | 27.9 |
| 16 (CH2) | 24.5 |
| 17 (C) | 124.7 |
| 18 (CH) | 111.1 |
| 19 (CH) | 142.9 |
| 20 (CH) | 138.9 |
| 21 (CH3) | 15.6 |
| 22 (CH3) | 20.5 |
| 23 (CH3) | 33.2 |
| 24 (CH3) | 21.7 |
| 25 (CH3) | 20.6 |
