Spektraris NMR
Regeol A
Common Name: Regeol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h14-15,20-21,24,29,31-32H,7-13H2,1-6H3/t15-,20+,21-,24-,25+,26-,27-,28+/m1/s1
InChIKey: InChIKey=FKARAOWYAAUAFW-MGRBCSRPSA-N
Formula: C28H40O4
Molecular Weight: 440.615855
Exact Mass: 440.29266
NMR Solvent: CDCl3
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) | 108.3 |
| 2 (C) | 141.4 |
| 3 (C) | 139.8 |
| 4 (C) | 122.5 |
| 5 (C) | 126.3 |
| 6 (CH2) | 28 |
| 7 (CH2) | 18.3 |
| 8 (CH) | 43.3 |
| 9 (C) | 36.7 |
| 10 (C) | 143.8 |
| 11 (CH2) | 34.2 |
| 12 (CH2) | 30 |
| 13 (C) | 40 |
| 14 (C) | 39.3 |
| 15 (CH2) | 27.9 |
| 16 (CH2) | 29.6 |
| 17 (C) | 44.9 |
| 18 (CH) | 45.4 |
| 19 (CH2) | 31.7 |
| 20 (CH) | 41.3 |
| 21 (C) | 214.2 |
| 22 (CH) | 77.6 |
| 23 (CH3) | 11.5 |
| 25 (CH3) | 28.2 |
| 26 (CH3) | 15.3 |
| 27 (CH3) | 19.2 |
| 28 (CH3) | 25.2 |
| 30 (CH3) | 14.8 |
