Spektraris NMR
Cordifoliside A tetraacetate
Common Name: Cordifoliside A tetraacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O15/c1-16(35)43-15-26-28(44-17(2)36)29(45-18(3)37)30(46-19(4)38)33(49-26)48-24-10-9-22-21(27(24)32(40)41-6)7-8-23-31(39)47-25(13-34(22,23)5)20-11-12-42-14-20/h11-12,14,22-26,28-30,33H,7-10,13,15H2,1-6H3/t22-,23+,24-,25+,26-,28-,29+,30-,33-,34+/m1/s1
InChIKey: InChIKey=USJADHPCIDKVQY-ONSWMBRZSA-N
Formula: C34H42O15
Molecular Weight: 690.689606
Exact Mass: 690.252371
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gangan, V.D., Pradhan, P., Sipahimalani, A.T., Banerji, A. Phytochemistry (1994) 37, 781-6
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) | 17 |
| 2 (CH2) | 28 |
| 3 (CH) | 72.8 |
| 4 (C) | 152.6 |
| 5 (C) | 126.9 |
| 6 (CH2) | 22.3 |
| 7 (CH2) | 28.3 |
| 8 (CH) | 49.2 |
| 9 (C) | 38.7 |
| 10 (CH) | 41.8 |
| 11 (CH2) | 40 |
| 12 (CH) | 70.8 |
| 13 (C) | 124.9 |
| 14 (CH) | 108.5 |
| 15 (CH) | 139.5 |
| 16 (CH) | 143.7 |
| 17 (C) | 171.7 |
| 19 (C) | 168 |
| 20 (CH3) | 22.5 |
| 3a (CH) | 101.1 |
| 3b (CH) | 72.8 |
| 3c (CH) | 72.7 |
| 3d (CH) | 68.6 |
| 3e (CH) | 71.2 |
| 3f (CH2) | 62 |
| 3ba (C) | 168.8 |
| 3bb (CH3) | 20.5 |
| 3ca (C) | 169.3 |
| 3cb (CH3) | 20.5 |
| 3da (C) | 170.2 |
| 3db (CH3) | 20.5 |
| 3fa (C) | 170.5 |
| 3fb (CH3) | 20.5 |
| 19a (CH3) | 51.6 |
