Spektraris NMR
Bruguierin C
Common Name: Bruguierin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H86O6/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-42(50)53-41-35-40(49)48(9)38(44(41,4)5)30-34-46(7)39(48)28-27-36-37(29-33-45(36,46)6)47(8,51)32-25-31-43(2,3)54-52/h25,31,36-41,49,51-52H,10-24,26-30,32-35H2,1-9H3/b31-25+/t36-,37+,38+,39+,40-,41+,45-,46-,47+,48+/m1/s1
InChIKey: InChIKey=PNIOLRUIMUJAKL-MZOLOXAHSA-N
Formula: C48H86O6
Molecular Weight: 759.194657
Exact Mass: 758.64244
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Homhual, S., Bunyapraphatsara, N., Kondratyuk, T., Herunsalee, A., Chaukul, W., Pezzuto, J.M., Fong, H.H., Zhang, H.J. J Nat Prod (2006) 69, 421-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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 (CH) | 78.7 |
| 2 (CH2) | 34.7 |
| 3 (CH) | 77.3 |
| 4 (C) | 38.3 |
| 5 (CH) | 54 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 35.3 |
| 8 (C) | 41.4 |
| 9 (CH) | 51.8 |
| 10 (C) | 43.8 |
| 11 (CH2) | 25.1 |
| 12 (CH2) | 28 |
| 13 (CH) | 42.3 |
| 14 (C) | 50.7 |
| 15 (CH2) | 32.3 |
| 16 (CH2) | 25.5 |
| 17 (CH) | 50.7 |
| 18 (CH3) | 16.8 |
| 19 (CH3) | 12.5 |
| 20 (C) | 75.5 |
| 21 (CH3) | 26 |
| 22 (CH2) | 44 |
| 23 (CH) | 127.6 |
| 24 (CH) | 137.7 |
| 25 (C) | 82.4 |
| 26 (CH3) | 24.5 |
| 27 (CH3) | 24.9 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 16.5 |
| 30 (CH3) | 16.1 |
| 3a (C) | 173.9 |
| 3b (CH2) | 35.1 |
| 3c (CH2) | 30.1 |
| 3d (CH2) | 30.1 |
| 3e (CH2) | 30.1 |
| 3f (CH2) | 30.1 |
| 3g (CH2) | 30.1 |
| 3h (CH2) | 30.1 |
| 3i (CH2) | 30.1 |
| 3j (CH2) | 30.1 |
| 3k (CH2) | 30.1 |
| 3l (CH2) | 30.1 |
| 3m (CH2) | 30.1 |
| 3n (CH2) | 30.1 |
| 3o (CH2) | 30.1 |
| 3p (CH2) | 30.1 |
| 3q (CH2) | 30.1 |
| 3r (CH3) | 14.5 |
