Spektraris NMR
26-Deoxyactein
Common Name: 26-Deoxyactein
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37+/m1/s1
InChIKey: InChIKey=GCMGJWLOGKSUGX-RBKCHLQLSA-N
Formula: C37H56O10
Molecular Weight: 660.83596
Exact Mass: 660.387348
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Chen, S.N., Li, W., Fabricant, D.S., Santarsiero, B.D., Mesecar, A., Fitzloff, J.F., Fong, H.H., Farnsworth, N.R. J Nat Prod (2002) 65, 601-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32 |
| 2 (CH2) | 29.9 |
| 3 (CH) | 88.1 |
| 4 (C) | 41.2 |
| 5 (CH) | 47 |
| 6 (CH2) | 20.5 |
| 7 (CH2) | 25.7 |
| 8 (CH) | 45.8 |
| 9 (C) | 20.2 |
| 10 (C) | 26.8 |
| 11 (CH2) | 36.7 |
| 12 (CH) | 77.1 |
| 13 (C) | 48.8 |
| 14 (C) | 48 |
| 15 (CH2) | 43.7 |
| 16 (CH) | 73 |
| 17 (CH) | 56.5 |
| 18 (CH3) | 13.5 |
| 19 (CH2) | 29.6 |
| 20 (CH) | 26 |
| 21 (CH3) | 21 |
| 22 (CH2) | 36.7 |
| 23 (C) | 105.9 |
| 24 (CH) | 63.3 |
| 25 (C) | 63.3 |
| 26 (CH2) | 68.8 |
| 27 (CH3) | 13.8 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 19.6 |
| 30 (CH3) | 15.4 |
| 1' (CH) | 107.5 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.1 |
| 12a (C) | 170.6 |
| 12b (CH3) | 20.7 |
