Spektraris NMR
16-Oxolyclanitin-29-yl E-40-hydroxyl-30-methoxycinnamate
Common Name: 16-Oxolyclanitin-29-yl E-40-hydroxyl-30-methoxycinnamate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H56O9/c1-36-15-13-31-37(2,16-14-32(45)39(31,4)21-41)30(36)11-9-25-24(19-36)18-27(43)34-38(25,3)20-28(44)35(47)40(34,5)22-49-33(46)12-8-23-7-10-26(42)29(17-23)48-6/h7-8,10,12,17-18,25,28,30-32,34-35,41-42,44-45,47H,9,11,13-16,19-22H2,1-6H3/b12-8+/t25-,28+,30-,31+,32+,34+,35+,36-,37+,38+,39+,40+/m0/s1
InChIKey: InChIKey=DTYYFYAKSWDPTQ-PJGZUTMSSA-N
Formula: C40H56O9
Molecular Weight: 680.868762
Exact Mass: 680.392433
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yan, J., Yi, P., Chen, B., Lu, L., Li, Z., Zhang, X., Zhou, L., Qiu, M. Phytochemistry (2008) 69, 506-10
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 34.1 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 69.9 |
| 4 (C) | 44.2 |
| 5 (CH) | 50.1 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 45.8 |
| 8 (C) | 38.2 |
| 9 (CH) | 62.6 |
| 10 (C) | 38.6 |
| 11 (CH2) | 26.7 |
| 12 (CH2) | 25.4 |
| 13 (CH) | 59.3 |
| 14 (C) | 164.6 |
| 15 (CH) | 128.9 |
| 16 (C) | 200.5 |
| 17 (CH) | 59.2 |
| 18 (C) | 45.8 |
| 19 (CH2) | 40.9 |
| 20 (CH) | 65.7 |
| 21 (CH) | 74.3 |
| 22 (C) | 43.5 |
| 23 (CH3) | 23.6 |
| 24 (CH2) | 65.7 |
| 25 (CH3) | 16.6 |
| 26 (CH3) | 20 |
| 27 (CH2) | 55.9 |
| 28 (CH3) | 16.7 |
| 29 (CH2) | 65.7 |
| 30 (CH3) | 23.7 |
| 29a (C) | 167.7 |
| 29b (CH) | 115.3 |
| 29c (CH) | 145.6 |
| 29d (C) | 126.5 |
| 29e (CH) | 111.5 |
| 29f (C) | 149 |
| 29g (C) | 150.8 |
| 29h (CH) | 116.9 |
| 29i (CH) | 123.3 |
| 29fa (CH3) | 55.9 |
