Spektraris NMR
Tinocordiside
Common Name: Tinocordiside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O7/c1-9-7-11(23)15-13-10(5-6-21(15,4)14(9)13)20(2,3)28-19-18(26)17(25)16(24)12(8-22)27-19/h7,10,12-19,22,24-26H,5-6,8H2,1-4H3/t10?,12-,13?,14?,15?,16-,17+,18-,19+,21?/m1/s1
InChIKey: InChIKey=NGDDYINPHJUBKI-IKUYUSIBSA-N
Formula: C21H32O7
Molecular Weight: 396.475392
Exact Mass: 396.214803
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ghosal, S., Vishwakarma, R.A. J Nat Prod (1997) 60, 839-41
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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 (CH) | 57 |
| 2 (C) | 203 |
| 3 (CH) | 122 |
| 4 (C) | 169 |
| 5 (CH) | 54.8 |
| 6 (CH) | 53.5 |
| 7 (CH) | 48.5 |
| 8 (CH2) | 21 |
| 9 (CH2) | 36 |
| 10 (C) | 55 |
| 11 (C) | 80 |
| 12 (CH3) | 19.5 |
| 13 (CH3) | 22 |
| 14 (CH3) | 22.8 |
| 15 (CH3) | 23.5 |
| 1' (CH) | 97 |
| 2' (CH) | 71.5 |
| 3' (CH) | 77.5 |
| 4' (CH) | 74.5 |
| 5' (CH) | 76.5 |
| 6' (CH2) | 62.5 |
