Spektraris NMR
Scortechinone S
Common Name: Scortechinone S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H44O11/c1-15(2)19(36)13-18-24(37)21-25(38)22-28(42-9)33(43-10)14-20-32(7,8)46-34(30(33)41,12-11-16(3)29(39)40)35(20,22)45-27(21)23-26(18)44-17(4)31(23,5)6/h11,17,19-20,22,28,36-37H,1,12-14H2,2-10H3,(H,39,40)/b16-11-/t17-,19?,20?,22-,28-,33+,34+,35+/m0/s1
InChIKey: InChIKey=URNSFYRCKOZPSO-NKJJFJSPSA-N
Formula: C35H44O11
Molecular Weight: 640.718604
Exact Mass: 640.288362
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sukpondma, Y., Rukachaisirikul, V., Phongpaichit, S. J Nat Prod (2005) 68, 1010-7
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 162 |
| 2 (C) | 102.4 |
| 3 (C) | 167.4 |
| 4 (C) | 113.9 |
| 4a (C) | 152.7 |
| 5 (C) | 86.5 |
| 6 (C) | 205.4 |
| 7 (C) | 81.4 |
| 8 (CH) | 75.1 |
| 8a (CH) | 48.9 |
| 9 (C) | 192.2 |
| 9a (C) | 102.6 |
| 10a (C) | 87.1 |
| 1' (CH2) | 23.9 |
| 2' (CH) | 45.3 |
| 3' (C) | 82.8 |
| 4' (CH3) | 30.5 |
| 5' (CH3) | 27.2 |
| 1'' (CH3) | 57.5 |
| 2a (CH2) | 29.1 |
| 2b (CH) | 75.5 |
| 2c (C) | 147.4 |
| 2d (CH3) | 110.4 |
| 2e (CH2) | 18.1 |
| 3a (C) | 44 |
| 3b (CH) | 90.6 |
| 3c (CH3) | 13.9 |
| 3d (CH3) | 22.1 |
| 3e (CH3) | 26.1 |
| 5a (CH2) | 28.4 |
| 5b (CH) | 137.3 |
| 5c (C) | 128.4 |
| 5d (CH3) | 20.9 |
| 5e (C) | 170.4 |
| 7a (CH3) | 52.4 |
