Spektraris NMR
Glabcensin O
Common Name: Glabcensin O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O11/c1-13(30)37-19-9-17-10-29(24(34)18(17)12-36-8)22(19)28(7)11-20(38-14(2)31)26(40-16(4)33)27(5,6)23(28)21(25(29)35)39-15(3)32/h17-23,25-26,35H,9-12H2,1-8H3/t17-,18-,19+,20+,21-,22+,23-,25+,26+,28+,29+/m1/s1
InChIKey: InChIKey=GEBGPSOVDACJMU-GMXYRAIOSA-N
Formula: C29H42O11
Molecular Weight: 566.638307
Exact Mass: 566.272712
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, Q.S., Tian, J., Yue, J.M., Lin, Z.W., Sun, H.D. J Nat Prod (1997) 60, 1075-81
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 40.76 |
| 2 (CH) | 67.43 |
| 3 (CH) | 77.7 |
| 4 (C) | 38.32 |
| 5 (CH) | 41.94 |
| 6 (CH) | 71.25 |
| 7 (CH) | 72.79 |
| 8 (C) | 50.47 |
| 9 (CH) | 54.46 |
| 10 (C) | 39.47 |
| 11 (CH) | 67.69 |
| 12 (CH2) | 35.29 |
| 13 (CH) | 32.92 |
| 14 (CH2) | 32 |
| 15 (C) | 222.86 |
| 16 (CH) | 56.45 |
| 17 (CH2) | 70.17 |
| 18 (CH3) | 27.85 |
| 19 (CH3) | 23 |
| 20 (CH3) | 20.57 |
| 2a (C) | 170.35 |
| 2b (CH3) | 20.56 |
| 3a (C) | 170.3 |
| 3b (CH3) | 20.48 |
| 6a (C) | 170.29 |
| 6b (CH3) | 20.42 |
| 11a (C) | 169 |
| 11b (CH3) | 20.35 |
| 17a (CH3) | 58.56 |
