Spektraris NMR
Baenzigeroside A
Common Name: Baenzigeroside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O11/c1-24-8-15(12-4-6-33-10-12)35-21(31)14(24)3-5-25(2)17(24)7-13-11-34-23(32)26(13,25)37-22-20(30)19(29)18(28)16(9-27)36-22/h3-4,6,10,13,15-20,22,27-30H,5,7-9,11H2,1-2H3/t13-,15-,16+,17-,18+,19-,20+,22-,24+,25+,26-/m0/s1
InChIKey: InChIKey=BGYRHGJBLWSBEE-HFTYGKCJSA-N
Formula: C26H32O11
Molecular Weight: 520.526692
Exact Mass: 520.194462
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Tuntiwachwuttikul, P., Boonrasri, N., Bremner, J.B., Taylor, W.C. Phytochemistry (1999) 52, 1335-40
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) | 35.2 |
| 2 (CH) | 41.3 |
| 3 (CH2) | 74.4 |
| 4 (C) | 91.1 |
| 5 (C) | 47.9 |
| 6 (CH2) | 30.7 |
| 7 (CH) | 132.5 |
| 8 (C) | 134.2 |
| 9 (C) | 34 |
| 10 (CH) | 49.5 |
| 11 (CH2) | 43.6 |
| 12 (CH) | 71.4 |
| 13 (C) | 124.1 |
| 14 (CH) | 108.7 |
| 15 (CH) | 143.7 |
| 16 (CH) | 139.7 |
| 17 (C) | 170.2 |
| 18 (C) | 174.4 |
| 19 (CH3) | 20.6 |
| 20 (CH3) | 28.4 |
| 1' (CH) | 99.8 |
| 2' (CH) | 73.9 |
| 3' (CH) | 76.6 |
| 4' (CH) | 70.4 |
| 5' (CH) | 76.4 |
| 6' (CH2) | 62 |
