Spektraris NMR
Salaquinone D
Common Name: Salaquinone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O10/c1-15-12-21(32)24(36-18(4)31)27(14-34-16(2)29)22(37-25(33)19-10-8-7-9-11-19)13-20-23(35-17(3)30)28(15,27)38-26(20,5)6/h7-11,15,20-24,32H,12-14H2,1-6H3/t15-,20-,21+,22+,23-,24+,27-,28-/m1/s1
InChIKey: InChIKey=PBYYDTQGTBZJGB-OKPVOZINSA-N
Formula: C28H36O10
Molecular Weight: 532.580522
Exact Mass: 532.230847
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morikawa, T., Kishi, A., Pongpiriyadacha, Y., Matsuda, H., Yoshikawa, M. J Nat Prod (2003) 66, 1191-6
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) | 74.5 |
| 2 (CH) | 68.3 |
| 3 (CH2) | 32.4 |
| 4 (CH) | 33.2 |
| 5 (C) | 89.6 |
| 6 (CH) | 78.1 |
| 7 (CH) | 48.7 |
| 8 (CH2) | 34.9 |
| 9 (CH) | 69.8 |
| 10 (C) | 53.4 |
| 11 (C) | 82.3 |
| 12 (CH3) | 30.2 |
| 13 (CH3) | 25.9 |
| 14 (CH2) | 65.9 |
| 15 (CH3) | 18 |
| 1a (C) | 169.3 |
| 1b (CH3) | 20.7 |
| 6a (C) | 169.8 |
| 6b (CH3) | 21.3 |
| 9a (C) | 165 |
| 9b (C) | 129 |
| 9c (CH) | 129.9 |
| 9d (CH) | 128.1 |
| 9e (CH) | 133.2 |
| 9f (CH) | 128.1 |
| 9g (CH) | 129.9 |
| 14a (C) | 170.3 |
| 14b (CH3) | 21.2 |
