Spektraris NMR
(2S*,3S*,4R*,5R*,6R*,11S*,15R*)-5,15-Diacetoxy-3-phenylacetoxy-14-oxolathyra-6(17),12E-diene-6(17)-epoxide
Common Name: (2S*,3S*,4R*,5R*,6R*,11S*,15R*)-5,15-Diacetoxy-3-phenylacetoxy-14-oxolathyra-6(17),12E-diene-6(17)-epoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H42O9/c1-21-18-28-29(37(28,6)7)19-30(45-35(42)26-14-10-8-11-15-26)23(3)33(44-24(4)39)31-32(46-36(43)27-16-12-9-13-17-27)22(2)20-38(31,34(21)41)47-25(5)40/h8-18,22,28-33H,3,19-20H2,1-2,4-7H3/b21-18+/t22-,28+,29-,30+,31+,32-,33-,38+/m0/s1
InChIKey: InChIKey=AFRGWGGHJYMSDU-LVFBPYTJSA-N
Formula: C38H42O9
Molecular Weight: 642.73612
Exact Mass: 642.282883
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Tron, G.C., Cravotto, G., Palmisano, G., Jakupovic, J. J Nat Prod (1999) 62, 76-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 47.9 |
| 2 (CH) | 37.6 |
| 3 (CH) | 79.6 |
| 4 (CH) | 52.9 |
| 5 (CH) | 64.1 |
| 6 (C) | 142 |
| 7 (CH) | 78.6 |
| 8 (CH2) | 28.7 |
| 9 (CH) | 31.5 |
| 10 (C) | 24.6 |
| 11 (CH) | 27.7 |
| 12 (CH) | 142.7 |
| 13 (C) | 135.5 |
| 14 (C) | 197.5 |
| 15 (C) | 91.9 |
| 16 (CH3) | 14.1 |
| 17 (CH2) | 119.7 |
| 18 (CH3) | 28.7 |
| 19 (CH3) | 16.6 |
| 20 (CH3) | 12.7 |
| 3a (C) | 165.9 |
| 3b (C) | 130.3 |
| 3c (CH) | 129.6 |
| 3d (CH) | 128.3 |
| 3e (CH) | 133.1 |
| 3f (CH) | 128.3 |
| 3g (CH) | 129.6 |
| 5a (C) | 169.3 |
| 5b (CH3) | 20.9 |
| 7a (C) | 165.6 |
| 7b (C) | 130.1 |
| 7c (CH) | 129.6 |
| 7d (CH) | 128.3 |
| 7e (CH) | 133.1 |
| 7f (CH) | 128.3 |
| 7g (CH) | 129.6 |
| 15a (C) | 169.7 |
| 15b (CH3) | 21.8 |
