Spektraris NMR
15alpha-Hydroxyfriedelane-1,3-dione
Common Name: 15alpha-Hydroxyfriedelane-1,3-dione
Synonyms: 15alpha-Hydroxyfriedelane-1,3-dione
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18-19(31)15-20(32)24-27(18,5)10-9-21-28(24,6)13-14-29(7)22-16-25(2,3)11-12-26(22,4)17-23(33)30(21,29)8/h18,21-24,33H,9-17H2,1-8H3/t18-,21-,22+,23-,24+,26+,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=JMJLXUCPYDJBBI-BBWAEWGCSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Klass, Tinto W. F., McLean S., Reynolds W. F. J Nat Prod (1992) 55, 1626
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) | 60.7 |
| 3 (C) | 204.1 |
| 4 (CH) | 59.1 |
| 5 (C) | 37.7 |
| 6 (CH2) | 40.7 |
| 7 (CH2) | 19.7 |
| 8 (CH) | 52.6 |
| 9 (C) | 37.6 |
| 10 (CH) | 71.9 |
| 11 (CH2) | 34.7 |
| 12 (CH2) | 30.8 |
| 13 (C) | 40.6 |
| 14 (C) | 44 |
| 15 (CH) | 74.7 |
| 16 (CH2) | 48.6 |
| 17 (C) | 30.2 |
| 18 (CH) | 41.6 |
| 19 (CH2) | 35.5 |
| 20 (C) | 28.2 |
| 21 (CH2) | 31.9 |
| 22 (CH2) | 38.9 |
| 23 (CH3) | 7.3 |
| 24 (CH3) | 15.8 |
| 25 (CH3) | 18.1 |
| 26 (CH3) | 14.1 |
| 27 (CH3) | 18.9 |
| 28 (CH3) | 32.7 |
| 29 (CH3) | 31 |
| 30 (CH3) | 35.6 |
