Spektraris NMR
Salasol B
Common Name: Salasol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H38O10/c1-19-16-25(41-29(37)22-12-8-6-9-13-22)27(36)32(18-39-20(2)34)26(42-30(38)23-14-10-7-11-15-23)17-24-28(40-21(3)35)33(19,32)43-31(24,4)5/h6-15,19,24-28,36H,16-18H2,1-5H3/t19-,24-,25+,26+,27+,28-,32-,33-/m1/s1
InChIKey: InChIKey=NCRKYBJLAZLWCK-UWEFVGCASA-N
Formula: C33H38O10
Molecular Weight: 594.650083
Exact Mass: 594.246497
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kishi, A., Morikawa, T., Matsuda, H., Yoshikawa, M. Chem Pharm Bull (2003) 51, 1051-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Agarofurans; 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) | 69.3 |
| 2 (CH) | 73.9 |
| 3 (CH2) | 31.2 |
| 4 (CH) | 33.3 |
| 5 (C) | 89.3 |
| 6 (CH) | 78.3 |
| 7 (CH) | 48.9 |
| 8 (CH2) | 34.4 |
| 9 (CH) | 69.4 |
| 10 (C) | 54.5 |
| 11 (C) | 82.6 |
| 12 (CH3) | 30.3 |
| 13 (CH3) | 26 |
| 14 (CH2) | 65.7 |
| 15 (CH3) | 18.2 |
| 2a (C) | 165.4 |
| 2b (C) | 130.4 |
| 2c (CH) | 129.6 |
| 2d (CH) | 128.6 |
| 2e (CH) | 133.1 |
| 2f (CH) | 128.6 |
| 2g (CH) | 129.6 |
| 6a (C) | 170 |
| 6b (CH3) | 21.3 |
| 9a (C) | 167 |
| 9b (C) | 129.6 |
| 9c (CH) | 129.7 |
| 9d (CH) | 128.6 |
| 9e (CH) | 133.3 |
| 9f (CH) | 128.6 |
| 9g (CH) | 129.7 |
| 14a (C) | 170.8 |
| 14b (CH3) | 21.2 |
