Spektraris NMR
Thysanolactone
Common Name: Thysanolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-17(2)18-11-14-27(5)19(18)12-15-28(6)21(27)9-10-22-29(28,7)16-13-20-26(3,4)25-32-23(24(31)33-25)30(20,22)8/h18-23,25H,1,9-16H2,2-8H3/t18-,19-,20-,21+,22-,23+,25-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=JKVLECODSCOIBO-IJXBPPAZSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Aimi N., Kawada K., Murakami H., Fukumasu Y., Sakai S. Heterocycles (1985) 23, 1863
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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 (CH) | 78.7 |
| 2 (C) | 172.2 |
| 3 (CH) | 110.9 |
| 4 (C) | 36.4 |
| 5 (CH) | 41.1 |
| 6 (CH2) | 17.6 |
| 7 (CH2) | 32.5 |
| 8 (C) | 40 |
| 9 (CH) | 47.9 |
| 10 (C) | 41.9 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 23.2 |
| 13 (CH) | 48.5 |
| 14 (C) | 42.8 |
| 15 (CH2) | 33.2 |
| 16 (CH2) | 20.8 |
| 17 (CH) | 53.8 |
| 18 (C) | 44.2 |
| 19 (CH2) | 40.1 |
| 20 (CH2) | 27.3 |
| 21 (CH) | 47.5 |
| 22 (C) | 148.1 |
| 23 (CH3) | 24.3 |
| 24 (CH3) | 19.4 |
| 25 (CH3) | 14.7 |
| 26 (CH3) | 15 |
| 27 (CH3) | 16.8 |
| 28 (CH3) | 17.5 |
| 29 (CH2) | 109.5 |
| 30 (CH3) | 19.7 |
