Spektraris NMR
Iso-Heleniamarin
Common Name: Iso-Heleniamarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5,8-9,12,14-15H,6-7H2,1-4H3/t8-,9-,12+,14?,15-,17+/m1/s1
InChIKey: InChIKey=RTZXXBPATUWPKS-MBQXNDGOSA-N
Formula: C17H22O5
Molecular Weight: 306.354231
Exact Mass: 306.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Elsohly, M.A., Sharma, A.S., Turn, C.E. J Nat Prod (1981) 44, 617
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Ambrosanes; 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 (C) | 153.7 |
| 2 (CH) | 119.1 |
| 3 (CH2) | 40.1 |
| 4 (C) | 215.8 |
| 5 (C) | 59.3 |
| 6 (CH) | 69.4 |
| 7 (CH) | 53 |
| 8 (CH) | 76.9 |
| 9 (CH2) | 43.6 |
| 10 (CH) | 28.2 |
| 11 (CH) | 38.5 |
| 12 (C) | 177.2 |
| 13 (CH3) | 20.5 |
| 14 (CH3) | 19.6 |
| 15 (CH3) | 12.3 |
| 6a (C) | 170.1 |
| 6b (CH3) | 20 |
