Spektraris NMR
Ethylrosmanol diacetate
Common Name: Ethylrosmanol diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O7/c1-8-30-19-17-12-16(13(2)3)20(31-14(4)27)21(32-15(5)28)18(17)26-11-9-10-25(6,7)23(26)22(19)33-24(26)29/h12-13,19,22-23H,8-11H2,1-7H3/t19-,22-,23-,26-/m0/s1
InChIKey: InChIKey=SBHATRVGOYTCHO-SURPGJSWSA-N
Formula: C26H34O7
Molecular Weight: 458.544953
Exact Mass: 458.230453
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Diez, D., Cubilla, L. Phytochemistry (1998) 48, 1035-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 26.5 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 37.7 |
| 4 (C) | 31.6 |
| 5 (CH) | 50.6 |
| 6 (CH) | 74.5 |
| 7 (CH) | 75.6 |
| 8 (C) | 133.8 |
| 9 (C) | 130.8 |
| 10 (C) | 46.7 |
| 11 (C) | 140.2 |
| 12 (C) | 140.6 |
| 13 (C) | 142.3 |
| 14 (CH) | 126.8 |
| 15 (CH) | 27.6 |
| 16 (CH3) | 22.6 |
| 17 (CH3) | 22.8 |
| 18 (CH3) | 31.4 |
| 19 (CH3) | 22.1 |
| 20 (C) | 176.5 |
| 7a (CH2) | 66.5 |
| 7b (CH3) | 15.8 |
| 11a (C) | 168 |
| 11b (CH3) | 20.3 |
| 12a (C) | 168 |
| 12b (CH3) | 20.8 |
