Spektraris NMR
Sesterstatin 7
Common Name: Sesterstatin 7
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O5/c1-15(28)32-17-12-20-26(5)11-8-18-24(2,3)9-7-10-25(18,4)19(26)13-21(29)27(20,6)22-16(17)14-31-23(22)30/h17-21,29H,7-14H2,1-6H3/t17-,18-,19+,20-,21+,25-,26+,27+/m0/s1
InChIKey: InChIKey=LOCDSBKFSVHNIV-XPSVZDKBSA-N
Formula: C27H40O5
Molecular Weight: 444.604524
Exact Mass: 444.287574
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Youssef, D.T., Shaala, L.A., Emara, S. J Nat Prod (2005) 68, 1782-4
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) | 39.6 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 42 |
| 4 (C) | 33.2 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 41.6 |
| 8 (C) | 37.1 |
| 9 (CH) | 58 |
| 10 (C) | 37.4 |
| 11 (CH2) | 25.7 |
| 12 (CH) | 75.2 |
| 13 (C) | 42.8 |
| 14 (CH) | 54.1 |
| 15 (CH2) | 23.8 |
| 16 (CH) | 69 |
| 17 (C) | 158.5 |
| 18 (C) | 139.2 |
| 19 (C) | 174.9 |
| 20 (CH2) | 70.5 |
| 21 (CH3) | 33.2 |
| 22 (CH3) | 20.8 |
| 23 (CH3) | 17.2 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 16.5 |
| 16a (C) | 170.5 |
| 16b (CH3) | 21.3 |
