Spektraris NMR
Tinosporaside
Common Name: Tinosporaside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O10/c1-24-7-5-13-22(31)33-15(12-6-8-32-11-12)9-25(13,2)21(24)14(27)3-4-17(24)35-23-20(30)19(29)18(28)16(10-26)34-23/h3-4,6,8,11,13,15-21,23,26,28-30H,5,7,9-10H2,1-2H3/t13?,15-,16+,17-,18+,19-,20+,21+,23-,24-,25+/m0/s1
InChIKey: InChIKey=ZXHPKYMQXNHREV-JLOIXKADSA-N
Formula: C25H32O10
Molecular Weight: 492.516551
Exact Mass: 492.199547
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maurya, R., Wazir, V., Tyagi, A., Kapil, R.S. Phytochemistry (1995) 38, 659-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, 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 (C) | 202.7 |
| 2 (CH) | 125.4 |
| 3 (CH) | 143.9 |
| 4 (CH) | 70 |
| 5 (C) | 42.7 |
| 6 (CH2) | 28.2 |
| 7 (CH2) | 18.8 |
| 8 (CH) | 47.9 |
| 9 (C) | 35.4 |
| 10 (CH) | 47.3 |
| 11 (CH2) | 40.1 |
| 12 (CH) | 72.4 |
| 13 (C) | 127.2 |
| 14 (CH) | 109 |
| 15 (CH) | 145.4 |
| 16 (CH) | 140.3 |
| 17 (C) | 170 |
| 19 (CH3) | 31.1 |
| 20 (CH3) | 24.3 |
| 1' (CH) | 104.6 |
| 2' (CH) | 73.5 |
| 3' (CH) | 77 |
| 4' (CH) | 69.8 |
| 5' (CH) | 76.5 |
| 6' (CH2) | 61.2 |
