Spektraris NMR
6b,21a-dihydroxy-3-friedelanone
Common Name: 6b,21a-dihydroxy-3-friedelanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-18-19(31)9-10-20-27(5)12-14-29(7)22-16-25(2,3)24(33)17-26(22,4)11-13-28(29,6)21(27)15-23(32)30(18,20)8/h18,20-24,32-33H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,26-,27-,28+,29-,30+/m0/s1
InChIKey: InChIKey=RRVIFATWSIDVIC-KZBQLLJXSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tane, P., Tsopmo, A., Ngnokam, D., Ayafor, J.F., Sterner, O. Tetrahedron (1996) 52, 14989-94
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) | 21.9 |
| 2 (CH2) | 41.2 |
| 3 (C) | 212.5 |
| 4 (CH) | 58.3 |
| 5 (C) | 47.6 |
| 6 (CH) | 79.4 |
| 7 (CH2) | 29.3 |
| 8 (CH) | 48.3 |
| 9 (C) | 37.5 |
| 10 (CH) | 58.5 |
| 11 (CH2) | 35.2 |
| 12 (CH2) | 30.1 |
| 13 (C) | 39.1 |
| 14 (C) | 38.6 |
| 15 (CH2) | 30.4 |
| 16 (CH2) | 36 |
| 17 (C) | 32.5 |
| 18 (CH) | 44.3 |
| 19 (CH2) | 36 |
| 20 (C) | 34.4 |
| 21 (CH) | 74.3 |
| 22 (CH2) | 47 |
| 23 (CH3) | 10.4 |
| 24 (CH3) | 9.1 |
| 25 (CH3) | 17.8 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 19.2 |
| 28 (CH3) | 33.1 |
| 29 (CH3) | 31.9 |
| 30 (CH3) | 24.9 |
