Spektraris NMR
Salmahyrtisol A
Common Name: Salmahyrtisol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O4/c1-16(28)31-23-22-17(9-13-30-22)18(29)14-20-26(5)12-8-19-24(2,3)10-7-11-25(19,4)21(26)15-27(20,23)6/h9,13,18-21,23,29H,7-8,10-12,14-15H2,1-6H3/t18-,19-,20-,21+,23+,25-,26-,27-/m0/s1
InChIKey: InChIKey=HTVZLAVMRJYGFM-XOLBZSSLSA-N
Formula: C27H40O4
Molecular Weight: 428.605119
Exact Mass: 428.29266
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) | 40.5 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42.6 |
| 4 (C) | 33.1 |
| 5 (CH) | 58.2 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 40.1 |
| 8 (C) | 44.6 |
| 9 (CH) | 61.3 |
| 10 (C) | 36.7 |
| 11 (CH2) | 34.4 |
| 12 (C) | 43 |
| 13 (CH) | 50.7 |
| 14 (CH2) | 32.7 |
| 15 (CH) | 69.6 |
| 16 (C) | 126.4 |
| 17 (C) | 146.4 |
| 18 (CH) | 75.9 |
| 19 (CH3) | 33.5 |
| 20 (CH3) | 21.2 |
| 21 (CH3) | 16.5 |
| 22 (CH3) | 15.1 |
| 23 (CH3) | 24.9 |
| 24 (CH) | 141.6 |
| 25 (CH) | 111.1 |
| 18a (C) | 170.5 |
| 18b (CH3) | 21.3 |
