Spektraris NMR
12α-O-acetylhyrtiolide
Common Name: 12α-O-acetylhyrtiolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O6/c1-14(28)32-19-13-17-25(4)10-7-9-24(2,3)16(25)8-11-26(17,5)18-12-15(29)20-21(27(18,19)6)23(31)33-22(20)30/h15-19,23,29,31H,7-13H2,1-6H3/t15-,16+,17-,18+,19+,23-,25+,26-,27-/m1/s1
InChIKey: InChIKey=RGURHVHMFJDSOE-WECKTULJSA-N
Formula: C27H40O6
Molecular Weight: 460.603929
Exact Mass: 460.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Qiu, Y., Deng, Z., Pei, Y., Fu, H., Li, J., Proksch, P., Lin, W. J Nat Prod (2004) 67, 921-4
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) | 40.07 |
| 2 (CH2) | 18.32 |
| 3 (CH2) | 42.27 |
| 4 (C) | 33.38 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 18.83 |
| 7 (CH2) | 41.5 |
| 8 (C) | 37.73 |
| 9 (CH) | 53.21 |
| 10 (C) | 37.22 |
| 11 (CH2) | 21.99 |
| 12 (CH) | 75.49 |
| 13 (C) | 42.12 |
| 14 (CH) | 45.93 |
| 15 (CH2) | 28.18 |
| 16 (CH) | 59.53 |
| 17 (C) | 131.42 |
| 18 (C) | 168.1 |
| 19 (CH) | 98.27 |
| 20 (C) | 171.12 |
| 21 (CH3) | 33.25 |
| 22 (CH3) | 21.48 |
| 23 (CH3) | 17.57 |
| 24 (CH3) | 16.12 |
| 25 (CH3) | 19.22 |
| 12a (C) | 170.45 |
| 12b (CH3) | 21.02 |
