Spektraris NMR
( 1S , 4R, 5S , 6R, 7R, 8S , 9R, 10S ) -1,8-Diacetoxy -6,9-dibenzoyl-oxydihydro-β-agarofuran
Common Name: ( 1S , 4R, 5S , 6R, 7R, 8S , 9R, 10S ) -1,8-Diacetoxy -6,9-dibenzoyl-oxydihydro-β-agarofuran
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H38O9/c1-19-17-18-24(38-20(2)34)32(6)28(41-30(37)23-15-11-8-12-16-23)26(39-21(3)35)25-27(33(19,32)42-31(25,4)5)40-29(36)22-13-9-7-10-14-22/h7-16,19,24-28H,17-18H2,1-6H3/t19-,24+,25-,26+,27-,28+,32+,33-/m1/s1
InChIKey: InChIKey=GLZSSEZJJMVWPN-WRNKVBDOSA-N
Formula: C33H38O9
Molecular Weight: 578.650678
Exact Mass: 578.251583
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Torres-Romero, D., Muñoz-Martínez, F., Jiménez, I.A., Castanys, S., Gamarro, F., Bazzocchi, I.L. Org Biomol Chem (2009) 7, 5166-72
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Agarofurans; 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) | 73.1 |
| 2 (CH2) | 22.4 |
| 3 (CH2) | 26.6 |
| 4 (CH) | 34.2 |
| 5 (C) | 89.7 |
| 6 (CH) | 77.9 |
| 7 (CH) | 53.6 |
| 8 (CH) | 69 |
| 9 (CH) | 72.4 |
| 10 (C) | 48.8 |
| 11 (C) | 82.7 |
| 12 (CH3) | 31.3 |
| 13 (CH3) | 26.3 |
| 14 (CH3) | 18.5 |
| 15 (CH3) | 17.2 |
| 1a (C) | 169.7 |
| 1b (CH3) | 20.5 |
| 6a (C) | 165.1 |
| 6b (C) | 129.4 |
| 6c (CH) | 128.5 |
| 6d (CH) | 128.1 |
| 6e (CH) | 133.1 |
| 6f (CH) | 128.1 |
| 6g (CH) | 128.5 |
| 8a (C) | 169.1 |
| 8b (CH3) | 20.5 |
| 9a (C) | 165.5 |
| 9b (C) | 129.1 |
| 9c (CH) | 129.5 |
| 9d (CH) | 129.9 |
| 9e (CH) | 133.3 |
| 9f (CH) | 129.9 |
| 9g (CH) | 129.5 |
