Spektraris NMR
12β-Hydroxykulactone
Common Name: 12β-Hydroxykulactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O4/c1-17(2)9-8-10-18-25-21(34-26(18)33)16-29(6)19-11-12-22-27(3,4)23(31)13-14-28(22,5)20(19)15-24(32)30(25,29)7/h9,11,18,20-22,24-25,32H,8,10,12-16H2,1-7H3/t18-,20+,21+,22+,24-,25-,28-,29-,30+/m1/s1
InChIKey: InChIKey=UBPWASPNRWXDEI-UHJNRKMWSA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cantrell, C.L., Rajab, M.S., Franzblau, S.G., Fischer, N.H. J Nat Prod (1999) 62, 546-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Euphanes; 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) | 38.6 |
| 2 (CH2) | 34.9 |
| 3 (C) | 216.3 |
| 4 (C) | 48.1 |
| 5 (CH) | 52.6 |
| 6 (CH2) | 24.6 |
| 7 (CH) | 119.4 |
| 8 (C) | 143.2 |
| 9 (CH) | 48.2 |
| 10 (C) | 35.5 |
| 11 (CH2) | 30.3 |
| 12 (CH) | 72.2 |
| 13 (C) | 55.2 |
| 14 (C) | 44.9 |
| 15 (CH2) | 36.5 |
| 16 (CH) | 82.3 |
| 17 (CH) | 53.5 |
| 18 (CH3) | 20.1 |
| 19 (CH3) | 12.8 |
| 20 (CH) | 45.7 |
| 21 (C) | 180.6 |
| 22 (CH2) | 29.3 |
| 23 (CH2) | 26.2 |
| 24 (CH) | 123.8 |
| 25 (C) | 133 |
| 26 (CH3) | 18.1 |
| 27 (CH3) | 26 |
| 28 (CH3) | 21.6 |
| 29 (CH3) | 24.6 |
| 30 (CH3) | 34 |
