Spektraris NMR
Baenzigeroside B acetate
Common Name: Baenzigeroside B acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H46O16/c1-17(36)45-16-24-27(46-18(2)37)28(47-19(3)38)29(48-20(4)39)33(51-24)44-11-8-9-25-34(5)13-22(21-10-12-43-15-21)50-31(40)26(34)23-14-35(25,6)30(49-23)32(41)42-7/h10,12,15,22-30,33H,8-9,11,13-14,16H2,1-7H3/t22-,23-,24+,25-,26-,27+,28-,29+,30+,33+,34-,35+/m0/s1
InChIKey: InChIKey=JQRXSBRKMKTNOG-XESSXFKTSA-N
Formula: C35H46O16
Molecular Weight: 722.73151
Exact Mass: 722.278585
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tuntiwachwuttikul, P., Taylor, W.C. Chem Pharm Bull (2001) 49, 854-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 24 |
| 2 (CH2) | 32.2 |
| 3 (CH2) | 69.3 |
| 4 (CH) | 80.3 |
| 5 (C) | 47.8 |
| 6 (CH2) | 42.3 |
| 7 (CH) | 79.1 |
| 8 (CH) | 53.7 |
| 9 (C) | 36.4 |
| 10 (CH) | 49.7 |
| 11 (CH2) | 42 |
| 12 (CH) | 70.4 |
| 13 (C) | 124.6 |
| 14 (CH) | 108.5 |
| 15 (CH) | 143.8 |
| 16 (CH) | 139.7 |
| 17 (C) | 170.6 |
| 18 (C) | 172.5 |
| 19 (CH3) | 21.2 |
| 20 (CH3) | 27.4 |
| 1' (CH) | 100.9 |
| 2' (CH) | 71.3 |
| 3' (CH) | 72.7 |
| 4' (CH) | 68.4 |
| 5' (CH) | 71.9 |
| 6' (CH2) | 61.9 |
| 18a (CH3) | 51.8 |
| 2'a (C) | 170.4 |
| 2'b (CH3) | 20.7 |
| 3'a (C) | 170.2 |
| 3'b (CH3) | 20.6 |
| 4'a (C) | 169.4 |
| 4'b (CH3) | 20.5 |
| 6'a (C) | 169.1 |
| 6'b (CH3) | 20.5 |
