Spektraris NMR
(4R,4aS,6bR,8aR,12aR,12bS,14aS)-4,4a,6b,8a,11,11,12b,14a-Octamethylicosahydro-3,7-picenedione
Common Name: (4R,4aS,6bR,8aR,12aR,12bS,14aS)-4,4a,6b,8a,11,11,12b,14a-Octamethylicosahydro-3,7-picenedione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-19-20(31)9-10-21-27(19,5)12-11-22-28(21,6)15-16-29(7)23-17-25(2,3)13-14-26(23,4)18-24(32)30(22,29)8/h19,21-23H,9-18H2,1-8H3/t19-,21+,22-,23+,26+,27+,28-,29-,30-/m0/s1
InChIKey: InChIKey=QFRCURHUZZMOMI-AOTSYCJBSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
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 (CH2) | 22.3 |
| 2 (CH2) | 41.4 |
| 3 (C) | 213.1 |
| 4 (CH) | 58.2 |
| 5 (C) | 42 |
| 6 (CH2) | 40.5 |
| 7 (CH2) | 21.3 |
| 8 (CH) | 45.3 |
| 9 (C) | 37.2 |
| 10 (CH) | 59.3 |
| 11 (CH2) | 34.4 |
| 12 (CH2) | 29.4 |
| 13 (C) | 42.4 |
| 14 (C) | 54.2 |
| 15 (C) | 214.1 |
| 16 (CH2) | 54 |
| 17 (C) | 33.5 |
| 18 (CH) | 44 |
| 19 (CH2) | 34.9 |
| 20 (C) | 27.9 |
| 21 (CH2) | 33.8 |
| 22 (CH2) | 38.6 |
| 23 (CH3) | 6.8 |
| 24 (CH3) | 15 |
| 25 (CH3) | 17.4 |
| 26 (CH3) | 14.7 |
| 27 (CH3) | 18.9 |
| 28 (CH3) | 32.2 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 33.4 |
