Spektraris NMR
(2S*,3S*,4R*,5R*,6R*,7S*,8R*,12R*,13S*,14R*,15R*)-5-Angeloyloxy-3-benzoyloxy-6,14:8,14-diepoxy-7,13,15,17-tetrahydroxy-9-oxo-15-epipresegetane
Common Name: (2S*,3S*,4R*,5R*,6R*,7S*,8R*,12R*,13S*,14R*,15R*)-5-Angeloyloxy-3-benzoyloxy-6,14:8,14-diepoxy-7,13,15,17-tetrahydroxy-9-oxo-15-epipresegetane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O11/c1-7-16(2)23(34)41-22-20-21(40-24(35)18-11-9-8-10-12-18)17(3)13-30(20,39)32-28(6,38)19-14-27(4,5)25(36)31(19,43-32)26(37)29(22,15-33)42-32/h7-12,17,19-22,26,33,37-39H,13-15H2,1-6H3/b16-7-/t17-,19+,20+,21-,22+,26-,28-,29+,30-,31+,32-/m0/s1
InChIKey: InChIKey=RXOFZUJDPCKLFW-QHSZYOQJSA-N
Formula: C32H40O11
Molecular Weight: 600.654633
Exact Mass: 600.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jakupovic, J., Jeske, F., Morgenstern, T., Tsichritzis, F., Marco, J.A., Berendsohn, W. Phytochemistry (1998) 47, 1583-600
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Segetanes; 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) | 41.3 |
| 2 (CH) | 42.2 |
| 3 (CH) | 76.6 |
| 4 (CH) | 58.2 |
| 5 (CH) | 79.9 |
| 6 (C) | 92.8 |
| 7 (CH) | 72.4 |
| 8 (C) | 85.6 |
| 9 (C) | 221.8 |
| 10 (C) | 45.1 |
| 11 (CH2) | 34.6 |
| 12 (CH) | 47.8 |
| 13 (C) | 80.3 |
| 14 (C) | 110.5 |
| 15 (C) | 96.9 |
| 16 (CH3) | 14 |
| 17 (CH2) | 67.3 |
| 18 (CH3) | 26.2 |
| 19 (CH3) | 27.2 |
| 20 (CH3) | 24.1 |
| 3a (C) | 166 |
| 3b (C) | 129.8 |
| 3c (CH) | 129.5 |
| 3d (CH) | 128.7 |
| 3e (CH) | 133.4 |
| 3f (CH) | 128.7 |
| 3g (CH) | 129.5 |
| 5a (C) | 169.2 |
| 5b (C) | 126.7 |
| 5c (CH) | 142.9 |
| 5d (CH3) | 20.4 |
| 5ba (CH3) | 16.2 |
