Spektraris NMR
1beta-Acetoxy-11beta,12-epoxy-7,17-sacculatadiene-11alpha-ol
Common Name: 1beta-Acetoxy-11beta,12-epoxy-7,17-sacculatadiene-11alpha-ol
Synonyms: 1beta-Acetoxy-11beta,12-epoxy-7,17-sacculatadiene-11alpha-ol
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-14(2)7-6-11-21(4)12-10-18(26-15(3)23)22(5)17(21)9-8-16-13-25-20(24)19(16)22/h7-8,17-20,24H,6,9-13H2,1-5H3/t17-,18+,19+,20+,21+,22+/m0/s1
InChIKey: InChIKey=KGMGBBURGHXQKU-SNMGDHFUSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Feld, H., Hertewich, U.M., Zapp, J., Becker, H. Phytochemistry (2005) 66, 1094-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Sacculatanes; 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) | 81.2 |
| 2 (CH2) | 24 |
| 3 (CH2) | 37.7 |
| 4 (C) | 35 |
| 5 (CH) | 46.8 |
| 6 (CH2) | 22.9 |
| 7 (CH) | 116.8 |
| 8 (C) | 136.5 |
| 9 (CH) | 61 |
| 10 (C) | 35.4 |
| 11 (CH) | 99.8 |
| 12 (CH2) | 68.4 |
| 13 (CH3) | 9.8 |
| 14 (CH3) | 20.5 |
| 15 (CH2) | 43.6 |
| 16 (CH2) | 21.7 |
| 17 (CH) | 124.6 |
| 18 (C) | 131.4 |
| 19 (CH3) | 25.7 |
| 20 (CH3) | 17.6 |
| 1a (C) | 170.8 |
| 1b (CH3) | 21.5 |
