Spektraris NMR
Euphwbia
Common Name: Euphwbia
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H46O14/c1-9-25(43)49-28-18(2)15-38(52-22(6)42)27(28)32(47-19(3)39)37-17-46-36(8,34(38)48-20(4)40)30(37)26-24(16-35(26,7)51-21(5)41)29(31(37)44)50-33(45)23-13-11-10-12-14-23/h10-14,18,24,26-30,32,34H,9,15-17H2,1-8H3/t18-,24+,26-,27+,28-,29+,30-,32+,34-,35-,36+,37-,38+/m0/s1
InChIKey: InChIKey=HVQVEQMVCYOICQ-NFDUNWDBSA-N
Formula: C38H46O14
Molecular Weight: 726.764908
Exact Mass: 726.288756
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, D., Sorg, B., Hecker, E. J Nat Prod (1995) 58, 408-13
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cyclomyrsinanes; 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) | 43.15 |
| 2 (CH) | 36.15 |
| 3 (CH) | 77 |
| 4 (CH) | 51.05 |
| 5 (CH) | 68.36 |
| 6 (C) | 62.09 |
| 7 (C) | 204.11 |
| 8 (CH) | 73.84 |
| 9 (CH) | 30.57 |
| 10 (C) | 42.05 |
| 11 (CH) | 77 |
| 12 (CH) | 41.04 |
| 13 (C) | 89.56 |
| 14 (CH) | 81.64 |
| 15 (C) | 90.03 |
| 16 (CH3) | 13.94 |
| 17 (CH2) | 67.35 |
| 18 (CH2) | 36.72 |
| 19 (CH3) | 23.04 |
| 20 (CH3) | 24.04 |
| 3a (C) | 173.6 |
| 3b (CH2) | 27.46 |
| 3c (CH3) | 9.04 |
| 5a (C) | 170.56 |
| 5b (CH3) | 21.25 |
| 8a (C) | 166.2 |
| 8b (C) | 130.02 |
| 8c (CH) | 130.16 |
| 8d (CH) | 128.27 |
| 8e (CH) | 133.3 |
| 8f (CH) | 128.27 |
| 8g (CH) | 130.16 |
| 10a (C) | 169.79 |
| 10b (CH3) | 22.23 |
| 14a (C) | 168.93 |
| 14b (CH3) | 21.64 |
| 15a (C) | 168.43 |
| 15b (CH3) | 21.25 |
