Spektraris NMR
Moretenolactone
Common Name: Moretenolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-18(2)19-10-14-26(3)20(19)11-16-28(5)21(26)8-9-22-27(4)15-13-24-30(7,25(31)32-24)23(27)12-17-29(22,28)6/h19-24H,1,8-17H2,2-7H3/t19-,20-,21+,22+,23+,24-,26-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=UDOGJERUGCSNPD-LTVWIFDFSA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lopes, D., Villela, C.T., Kaplan, M.A.C., Carauta, J.P.P. Phytochemistry (1993) 34, 279-80
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 (CH2) | 36.7 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 77.4 |
| 4 (C) | 55.4 |
| 5 (CH) | 52.6 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 32.6 |
| 8 (C) | 41.8 |
| 9 (CH) | 47.9 |
| 10 (C) | 35.6 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 23.8 |
| 13 (CH) | 48.5 |
| 14 (C) | 42.4 |
| 15 (CH2) | 32.5 |
| 16 (CH2) | 20.8 |
| 17 (CH) | 53.8 |
| 18 (C) | 44.1 |
| 19 (CH2) | 40.1 |
| 20 (CH2) | 27.5 |
| 21 (CH) | 47.9 |
| 22 (C) | 148.1 |
| 23 (CH3) | 22.9 |
| 24 (C) | 175.6 |
| 25 (CH3) | 12.6 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 16.9 |
| 28 (CH3) | 15 |
| 29 (CH2) | 109.5 |
| 30 (CH3) | 19.2 |
