Spektraris NMR
22a-Hydroxystictano-25,3b-lactone
Common Name: 22a-Hydroxystictano-25,3b-lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)16-17-27(5)18(23(25)31)10-13-28(6)20(27)8-9-21-29(28,7)14-11-19-26(3,4)22-12-15-30(19,21)24(32)33-22/h18-23,31H,8-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=PVANKMHCCCUCAQ-UJIKCCKNSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wilkins A.L., Bremer J., Ralph J., Holland P.T., Ronaldson K.J., Jager P.M., Bird P.W. Aust J Chem (1989) 42, 243
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Stictanes; 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) | 23.9 |
| 2 (CH2) | 25.7 |
| 3 (CH) | 82.5 |
| 4 (C) | 38.3 |
| 5 (CH) | 33.4 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 32.7 |
| 8 (C) | 40.3 |
| 9 (CH) | 46.7 |
| 10 (C) | 44.9 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 21.7 |
| 13 (CH) | 48.5 |
| 14 (C) | 42.8 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 19.2 |
| 17 (CH) | 49 |
| 18 (C) | 38.5 |
| 19 (CH2) | 34.9 |
| 20 (CH2) | 35 |
| 21 (C) | 35.8 |
| 22 (CH) | 76.5 |
| 23 (CH3) | 26.4 |
| 24 (CH3) | 20.2 |
| 25 (C) | 178.2 |
| 26 (CH3) | 22.1 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 13.5 |
| 29 (CH3) | 29.8 |
| 30 (CH3) | 18.5 |
