Spektraris NMR
Baenzigeroside B
Common Name: Baenzigeroside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O12/c1-26-9-14(13-6-8-35-12-13)38-23(32)18(26)15-10-27(2,22(37-15)24(33)34-3)17(26)5-4-7-36-25-21(31)20(30)19(29)16(11-28)39-25/h6,8,12,14-22,25,28-31H,4-5,7,9-11H2,1-3H3/t14-,15-,16+,17-,18-,19+,20-,21+,22+,25+,26-,27+/m0/s1
InChIKey: InChIKey=HQCSSBYQDUJZEE-TYEUQHTQSA-N
Formula: C27H38O12
Molecular Weight: 554.584477
Exact Mass: 554.236327
NMR Solvent: CDDl3 + DMSO-d6
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) | 31.8 |
| 3 (CH2) | 69.2 |
| 4 (CH) | 80.1 |
| 5 (C) | 47.8 |
| 6 (CH2) | 42 |
| 7 (CH) | 78.9 |
| 8 (CH) | 53.8 |
| 9 (C) | 36.2 |
| 10 (CH) | 49 |
| 11 (CH2) | 42 |
| 12 (CH) | 70.2 |
| 13 (C) | 124.7 |
| 14 (CH) | 108.6 |
| 15 (CH) | 143.5 |
| 16 (CH) | 139.8 |
| 17 (C) | 170.4 |
| 18 (C) | 172.5 |
| 19 (CH3) | 21 |
| 20 (CH3) | 27.3 |
| 1' (CH) | 102.9 |
| 2' (CH) | 73.7 |
| 3' (CH) | 77 |
| 4' (CH) | 70.7 |
| 5' (CH) | 76.1 |
| 6' (CH2) | 62.1 |
| 18a (CH3) | 51.6 |
