Spektraris NMR
lsofregenedadiol monoacetate
Common Name: lsofregenedadiol monoacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-14(11-12-23)7-8-18-13-20-19(16(3)15(18)2)9-10-21(22(20,5)6)25-17(4)24/h13-14,21,23H,7-12H2,1-6H3/t14-,21-/m0/s1
InChIKey: InChIKey=ZYUMNJRVNXCJFM-QKKBWIMNSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marcos, I.S., Jorge, A., Diez, D., Basabe, P., Lithgow, A.M., Sexmero, M.J., Garrido, N.M., Urones, J.G. Phytochemistry (1996) 41, 1155-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 24.9 |
| 2 (CH2) | 23.9 |
| 3 (CH) | 77.4 |
| 4 (C) | 37.8 |
| 5 (C) | 141.1 |
| 6 (CH) | 124.7 |
| 7 (C) | 138.8 |
| 8 (C) | 131.9 |
| 9 (C) | 134.6 |
| 10 (C) | 130.6 |
| 11 (CH2) | 32.1 |
| 12 (CH2) | 38.5 |
| 13 (CH) | 30 |
| 14 (CH2) | 40 |
| 15 (CH2) | 61.2 |
| 16 (CH3) | 19.7 |
| 17 (CH3) | 15.4 |
| 18 (CH3) | 29.9 |
| 19 (CH3) | 26 |
| 20 (CH3) | 15.8 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.2 |
