Spektraris NMR
21alpha-Hydroxyfriedelan-3-one
Common Name: 21alpha-Hydroxyfriedelan-3-one
Synonyms: 21alpha-Hydroxyfriedelan-3-one
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19-20(31)9-10-21-27(19,5)12-11-22-28(21,6)14-16-30(8)23-17-25(2,3)24(32)18-26(23,4)13-15-29(22,30)7/h19,21-24,32H,9-18H2,1-8H3/t19-,21+,22-,23+,24+,26-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=VLNRAGRUEHHINT-ZXNIMFAASA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wazeer M.I.M., Kumar V., Wearatunga G., Wijeratna D.B.T. Aust J Chem (1984) 37, 2571-5
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 (CH2) | 22.3 |
| 2 (CH2) | 41.5 |
| 3 (C) | 213.2 |
| 4 (CH) | 58.2 |
| 5 (C) | 42.1 |
| 6 (CH2) | 41.2 |
| 7 (CH2) | 18.2 |
| 8 (CH) | 57.5 |
| 9 (C) | 37.5 |
| 10 (CH) | 59.5 |
| 11 (CH2) | 35.3 |
| 12 (CH2) | 30.4 |
| 13 (C) | 39 |
| 14 (C) | 38.8 |
| 15 (CH2) | 30.2 |
| 16 (CH2) | 36.1 |
| 17 (C) | 32.5 |
| 18 (CH) | 44.3 |
| 19 (CH2) | 36 |
| 20 (C) | 34 |
| 21 (CH) | 74.3 |
| 22 (CH2) | 47 |
| 23 (CH3) | 6.8 |
| 24 (CH3) | 14.7 |
| 25 (CH3) | 18.2 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 19.3 |
| 28 (CH3) | 33.1 |
| 29 (CH3) | 24.9 |
| 30 (CH3) | 31.9 |
