Spektraris NMR
8β-[eremophila-3’,7’(11’)-diene-12’,8’α;14’,6’α-diolide]eremophila-3,7(11)-diene-12,8α;14,6α-diolide
![8β-[eremophila-3’,7’(11’)-diene-12’,8’α;14’,6’α-diolide]eremophila-3,7(11)-diene-12,8α;14,6α-diolide](/nmr/static/nmr/svg/18987.svg)
Common Name: 8β-[eremophila-3’,7’(11’)-diene-12’,8’α;14’,6’α-diolide]eremophila-3,7(11)-diene-12,8α;14,6α-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H30O8/c1-13-19-21-27(3)15(7-5-9-17(27)25(33)35-21)11-29(19,37-23(13)31)30-12-16-8-6-10-18-26(34)36-22(28(16,18)4)20(30)14(2)24(32)38-30/h9-10,15-16,21-22H,5-8,11-12H2,1-4H3/t15-,16-,21+,22+,27+,28+,29+,30+/m1/s1
InChIKey: InChIKey=UYXOLHSLRASTJT-XYUQZUCLSA-N
Formula: C30H30O8
Molecular Weight: 518.555539
Exact Mass: 518.194068
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Wang, X., Sun, L., Huang, K., Shi, S., Zhang, L., Xu, J., Peng, H., Sun, X., Wang, L., Wu, X., Zhao, Y., Li, X., Stockigt, J., Qu, J. Chem Biodivers (2009) 6, 1053-65
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 21.2 |
| 2 (CH2) | 21.9 |
| 3 (CH) | 136.7 |
| 4 (C) | 129.9 |
| 5 (C) | 44.3 |
| 6 (CH) | 82.9 |
| 7 (C) | 157.4 |
| 8 (C) | 87.3 |
| 9 (CH2) | 35.2 |
| 10 (CH) | 32.1 |
| 11 (C) | 128.5 |
| 12 (C) | 170.9 |
| 13 (CH3) | 10.1 |
| 14 (CH3) | 26.2 |
| 15 (C) | 168.4 |
| 1' (CH2) | 21.2 |
| 2' (CH2) | 21.9 |
| 3' (CH) | 136.7 |
| 4' (C) | 129.9 |
| 5' (C) | 44.3 |
| 6' (CH) | 82.9 |
| 7' (C) | 157.4 |
| 8' (C) | 87.3 |
| 9' (CH2) | 35.2 |
| 10' (CH) | 32.1 |
| 11' (C) | 128.5 |
| 12' (C) | 170.9 |
| 13' (CH3) | 10.1 |
| 14' (CH3) | 26.2 |
| 15' (C) | 168.4 |
