Spektraris NMR
3-Acetylsesterstatin 1
Common Name: 3-Acetylsesterstatin 1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O5/c1-16(28)32-15-24(2)10-6-11-25(3)18(24)9-12-26(4)19-8-7-17-14-31-23(30)22(17)27(19,5)21(29)13-20(25)26/h18-21,29H,6-15H2,1-5H3/t18-,19-,20+,21+,24-,25-,26-,27+/m0/s1
InChIKey: InChIKey=HBZMFBSNLZLYMN-HHZCAVKLSA-N
Formula: C27H40O5
Molecular Weight: 444.604524
Exact Mass: 444.287574
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Youssef, D.T., Yamaki, R.K., Kelly, M., Scheuer, P.J. J Nat Prod (2002) 65, 2-6
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) | 39.2 |
| 2 (CH2) | 17.7 |
| 3 (CH2) | 35.7 |
| 4 (C) | 36.5 |
| 5 (CH) | 50.6 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 41.4 |
| 8 (C) | 37.1 |
| 9 (CH) | 58 |
| 10 (C) | 37.3 |
| 11 (CH2) | 25.8 |
| 12 (CH) | 75.5 |
| 13 (C) | 42.2 |
| 14 (CH) | 55.1 |
| 15 (CH2) | 16.4 |
| 16 (CH2) | 25.2 |
| 17 (C) | 162.1 |
| 18 (C) | 135.8 |
| 19 (C) | 175.9 |
| 20 (CH2) | 72.1 |
| 21 (CH2) | 72.9 |
| 22 (CH3) | 17.1 |
| 23 (CH3) | 16.3 |
| 24 (CH3) | 17.1 |
| 25 (CH3) | 16.7 |
| 21a (C) | 171.3 |
| 21b (CH3) | 21 |
