Spektraris NMR
28-hydroxyfriedelane-1,3-dione
Common Name: 28-hydroxyfriedelane-1,3-dione
Synonyms: 28-hydroxyfriedelane-1,3-dione
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19-20(32)16-21(33)24-26(19,4)9-8-22-27(24,5)11-12-29(7)23-17-25(2,3)10-14-30(23,18-31)15-13-28(22,29)6/h19,22-24,31H,8-18H2,1-7H3/t19-,22-,23-,24+,26+,27+,28+,29-,30+/m0/s1
InChIKey: InChIKey=XTCGSNZDWBNNPC-WIXRYLSGSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chavez, H., Estevez-Braun, A., Ravelo, A.G., Gonzalez, A.G. J Nat Prod (1998) 61, 82-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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 (C) | 202.7 |
| 2 (CH2) | 60.6 |
| 3 (C) | 204.1 |
| 4 (CH) | 59.1 |
| 5 (C) | 37.2 |
| 6 (CH2) | 40.6 |
| 7 (CH2) | 18 |
| 8 (CH) | 51.5 |
| 9 (C) | 37.8 |
| 10 (CH) | 71.9 |
| 11 (CH2) | 33.4 |
| 12 (CH2) | 29.7 |
| 13 (C) | 39.2 |
| 14 (C) | 39.1 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 29 |
| 17 (C) | 35.1 |
| 18 (CH) | 39.3 |
| 19 (CH2) | 34.4 |
| 20 (C) | 28.1 |
| 21 (CH2) | 31.4 |
| 22 (CH2) | 34.4 |
| 23 (CH3) | 7.3 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 18.1 |
| 26 (CH3) | 19.1 |
| 27 (CH3) | 19.2 |
| 28 (CH2) | 67.9 |
| 29 (CH3) | 34.2 |
| 30 (CH3) | 32.8 |
