Spektraris NMR
Cycloglobiceposide B
Common Name: Cycloglobiceposide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H80O19/c1-20(8-9-27(52)43(4,5)66-41-37(60)34(57)32(55)25(17-49)64-41)29-23(62-40-36(59)33(56)31(54)24(16-48)63-40)15-45(7)26-14-21(50)38-42(2,3)28(65-39-35(58)30(53)22(51)18-61-39)10-11-47(38)19-46(26,47)13-12-44(29,45)6/h20-41,48-60H,8-19H2,1-7H3/t20-,21+,22-,23+,24-,25-,26+,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40-,41+,44-,45+,46+,47-/m1/s1
InChIKey: InChIKey=HJCCJZGOBHFQSX-DSFPLUJSSA-N
Formula: C47H80O19
Molecular Weight: 949.128541
Exact Mass: 948.52938
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Karimov, R.Z., Kachala, V.V., Ramazanov, N.S., Saatov, Z., Shashkov, A.S. Chem Nat Compd (2001) 37, 524-8
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) | 32.55 |
| 2 (CH2) | 30.3 |
| 3 (CH) | 88.8 |
| 4 (C) | 42.7 |
| 5 (CH) | 53.9 |
| 6 (CH) | 66.9 |
| 7 (CH2) | 38.25 |
| 8 (CH) | 46.9 |
| 9 (C) | 21.25 |
| 10 (C) | 29.25 |
| 11 (CH2) | 26.25 |
| 12 (CH2) | 32.85 |
| 13 (C) | 45.65 |
| 14 (C) | 46.85 |
| 15 (CH2) | 47.3 |
| 16 (CH) | 82.85 |
| 17 (CH) | 57.45 |
| 18 (CH3) | 19.05 |
| 19 (CH2) | 30.3 |
| 20 (CH) | 31.7 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 34.5 |
| 23 (CH2) | 29.9 |
| 24 (CH) | 78.3 |
| 25 (C) | 80.85 |
| 26 (CH3) | 22.1 |
| 27 (CH3) | 23.55 |
| 28 (CH3) | 28.85 |
| 29 (CH3) | 20.2 |
| 30 (CH3) | 16.7 |
| 1' (CH) | 107.45 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.1 |
| 5' (CH2) | 67.9 |
| 1'' (CH) | 106.1 |
| 2'' (CH) | 75.8 |
| 3'' (CH) | 78.6 |
| 4'' (CH) | 71.4 |
| 5'' (CH) | 77.9 |
| 6'' (CH2) | 62.75 |
| 1''' (CH) | 98.6 |
| 2''' (CH) | 75.15 |
| 3''' (CH) | 78.4 |
| 4''' (CH) | 71.7 |
| 5''' (CH) | 78 |
| 6''' (CH2) | 62.7 |
