Spektraris NMR
Regeol C
Common Name: Regeol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O6/c1-15-19-16(13-17(30)20(15)31)27(4)10-12-28(5)18-14-26(3,24(34)35)8-7-25(18,2)9-11-29(28,6)23(27)22(33)21(19)32/h13,18,30-31,33H,7-12,14H2,1-6H3,(H,34,35)/t18-,25-,26-,27+,28+,29-/m1/s1
InChIKey: InChIKey=GXMSTEJLJKABOD-ZCICSXMVSA-N
Formula: C29H38O6
Molecular Weight: 482.609519
Exact Mass: 482.266839
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Takaishi, Y., Wariishi, N., Tateishi, H., Kawazoe, K., Nakano, K., Ono, Y., Tokuda, H., Nishino, H., Iwashima, A. Phytochemistry (1997) 45, 969-74
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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) | 109.3 |
| 2 (C) | 152.2 |
| 3 (C) | 144.1 |
| 4 (C) | 127.9 |
| 5 (C) | 119.5 |
| 6 (C) | 182.1 |
| 7 (C) | 146.9 |
| 8 (C) | 138.1 |
| 9 (C) | 40 |
| 10 (C) | 151.7 |
| 11 (CH2) | 33.5 |
| 12 (CH2) | 29.8 |
| 13 (C) | 39.4 |
| 14 (C) | 46.4 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 37.2 |
| 17 (C) | 30.5 |
| 18 (CH) | 44.4 |
| 19 (CH2) | 31.4 |
| 20 (C) | 40.7 |
| 21 (CH2) | 30.4 |
| 22 (CH2) | 36 |
| 23 (CH3) | 14.8 |
| 25 (CH3) | 41.3 |
| 26 (CH3) | 20.5 |
| 27 (CH3) | 19.9 |
| 28 (CH3) | 31.9 |
| 29 (C) | 181.2 |
| 30 (CH3) | 32.8 |
