Spektraris NMR
3a-Hydroxycycloparvifloralone
Common Name: 3a-Hydroxycycloparvifloralone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O7/c1-7-4-8(16)15(20)11(2)6-21-10-9(17)13(7,15)5-14(19,22-10)12(11,3)18/h7-10,16-20H,4-6H2,1-3H3/t7-,8-,9+,10+,11+,12-,13+,14-,15+/m1/s1
InChIKey: InChIKey=DKGBXLFQVHZUEF-XXPIPLRESA-N
Formula: C15H24O7
Molecular Weight: 316.347451
Exact Mass: 316.152203
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Huang, J.M., Yokoyama, R., Yang, C.S., Fukuyama, Y. J Nat Prod (2001) 64, 428-31
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Prezizaanes; 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) | 38.5 |
| 2 (CH2) | 42.8 |
| 3 (CH) | 72.9 |
| 4 (C) | 81.4 |
| 5 (C) | 47.5 |
| 6 (C) | 87.5 |
| 7 (C) | 99.4 |
| 8 (CH2) | 37.7 |
| 9 (C) | 52.5 |
| 10 (CH) | 70.6 |
| 11 (CH) | 97.6 |
| 12 (CH3) | 15.8 |
| 13 (CH3) | 15.7 |
| 14 (CH2) | 68.6 |
| 15 (CH3) | 13.5 |
