Spektraris NMR
Cordifoliside B tetraacetate
Common Name: Cordifoliside B 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+/m0/s1
InChIKey: InChIKey=USJADHPCIDKVQY-LWPRCZFJSA-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) | 18.1 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 73.6 |
| 4 (C) | 45 |
| 5 (C) | 28.9 |
| 6 (CH2) | 30 |
| 7 (CH2) | 21.9 |
| 8 (CH) | 47.2 |
| 9 (C) | 39 |
| 10 (CH) | 47.2 |
| 11 (CH2) | 43 |
| 12 (CH) | 70.5 |
| 13 (C) | 24 |
| 14 (CH) | 8.5 |
| 15 (CH) | 39.6 |
| 16 (CH) | 43.7 |
| 17 (C) | 73.4 |
| 18 (C) | 68.4 |
| 20 (CH3) | 21.4 |
| 3a (CH) | 99.6 |
| 3b (CH) | 71.7 |
| 3c (CH) | 72.9 |
| 3d (CH) | 68 |
| 3e (CH) | 71.6 |
| 3f (CH2) | 62 |
| 3ba (C) | 168.9 |
| 3bb (CH3) | 20.6 |
| 3ca (C) | 170.2 |
| 3cb (CH3) | 20.6 |
| 3da (C) | 169.3 |
| 3db (CH3) | 20.6 |
| 3fa (C) | 170.5 |
| 3fb (CH3) | 20.6 |
| 18a (CH3) | 51.5 |
