Spektraris NMR
Cordifoliside C tetraacetate
Common Name: Cordifoliside C 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)48-24-12-23-32(40)47-25(20-10-11-42-14-20)13-34(23,5)22-9-7-8-21(27(22)24)31(39)41-6/h10-11,14,22-26,28-30,33H,7-9,12-13,15H2,1-6H3/t22-,23+,24+,25+,26-,28-,29+,30-,33-,34+/m1/s1
InChIKey: InChIKey=NOVOLPMLVDPXJH-HMAOCGJASA-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) | 17.7 |
| 2 (CH2) | 22.2 |
| 3 (CH2) | 28.1 |
| 4 (C) | 145.1 |
| 5 (C) | 128.8 |
| 6 (CH) | 73 |
| 7 (CH2) | 26.5 |
| 8 (CH) | 49.6 |
| 9 (C) | 38.5 |
| 10 (CH) | 39.3 |
| 11 (CH2) | 40 |
| 12 (CH) | 70.1 |
| 13 (C) | 124.9 |
| 14 (CH) | 108.4 |
| 15 (CH) | 139.5 |
| 16 (CH) | 143.7 |
| 17 (C) | 171.2 |
| 19 (C) | 168 |
| 20 (CH3) | 23.7 |
| 6a (CH) | 99.3 |
| 6b (CH) | 71.5 |
| 6c (CH) | 72.9 |
| 6d (CH) | 68.3 |
| 6e (CH) | 71.6 |
| 6f (CH2) | 62 |
| 6ba (C) | 168.8 |
| 6bb (CH3) | 20.5 |
| 6ca (C) | 170.2 |
| 6cb (CH3) | 20.5 |
| 6da (C) | 169.3 |
| 6db (CH3) | 20.5 |
| 6fa (C) | 170.6 |
| 6fb (CH3) | 20.5 |
| 19a (CH3) | 51.4 |
