Spektraris NMR
Leucasperone A
Common Name: Leucasperone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O8/c1-9-24(6,31)13-22(34-18(5)29)26(8)15(2)12-20(33-17(4)28)23-19(26)10-11-21(30)25(23,7)14-32-16(3)27/h9,15,20,22,31H,1,10-14H2,2-8H3/t15-,20+,22?,24?,25-,26-/m0/s1
InChIKey: InChIKey=MFWAONAGQVIAJO-RZABVCLVSA-N
Formula: C26H38O8
Molecular Weight: 478.576121
Exact Mass: 478.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sadhu, S.K., Okuyama, E., Fujimoto, H., Ishibashi, M. J Nat Prod (2006) 69, 988-94
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) | 24.2 |
| 2 (CH2) | 36.9 |
| 3 (C) | 212.3 |
| 4 (C) | 51.1 |
| 5 (C) | 130.3 |
| 6 (CH) | 67 |
| 7 (CH2) | 34.7 |
| 8 (CH) | 34.3 |
| 9 (C) | 45.4 |
| 10 (C) | 146.8 |
| 11 (CH) | 72.2 |
| 12 (CH2) | 44.9 |
| 13 (C) | 72.1 |
| 14 (CH) | 144.5 |
| 15 (CH2) | 111.1 |
| 16 (CH3) | 29.8 |
| 17 (CH3) | 17.4 |
| 18 (CH2) | 68.5 |
| 19 (CH3) | 19.3 |
| 20 (CH3) | 23 |
| 6a (C) | 170.5 |
| 6b (CH3) | 21.5 |
| 11a (C) | 170.3 |
| 11b (CH3) | 20.8 |
| 18a (C) | 170.9 |
| 18b (CH3) | 21.4 |
