Spektraris NMR
3b,6a-O-diacetylteucrolin E
Common Name: 3b,6a-O-diacetylteucrolin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O10/c1-15-21(30)22(36-18(4)29)24(13-33-16(2)27)25(31)14-34-26(24,10-7-20(25)35-17(3)28)23(15,5)9-6-19-8-11-32-12-19/h8,11-12,15,20,22,31H,6-7,9-10,13-14H2,1-5H3/t15-,20+,22+,23+,24+,25+,26+/m1/s1
InChIKey: InChIKey=HKDQIEANQJIDAE-AYGKOHCASA-N
Formula: C26H34O10
Molecular Weight: 506.543168
Exact Mass: 506.215197
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Al-Yahya, M.A., El-Feraly, F.S., Dunbar, D.C., Muhammad, I. Phytochemistry (2002) 59, 409-14
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) | 28.2 |
| 2 (CH2) | 25.4 |
| 3 (CH) | 72.6 |
| 4 (C) | 83.4 |
| 5 (C) | 60.1 |
| 6 (CH) | 76.5 |
| 7 (C) | 207.5 |
| 8 (CH) | 45.3 |
| 9 (C) | 48 |
| 10 (C) | 92 |
| 11 (CH2) | 40.5 |
| 12 (CH2) | 22.2 |
| 13 (C) | 127.2 |
| 14 (CH) | 111.8 |
| 15 (CH) | 143.9 |
| 16 (CH) | 139.6 |
| 17 (CH3) | 8.2 |
| 18 (CH2) | 70 |
| 19 (CH2) | 61.8 |
| 20 (CH3) | 18.8 |
| 3a (C) | 172.5 |
| 3b (CH3) | 21 |
| 6a (C) | 171.5 |
| 6b (CH3) | 20.8 |
| 19a (C) | 171.6 |
| 19b (CH3) | 20.8 |
