(5R,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl (2E,4E)-6,7-dihydroxy-2,4-octadienoate
7557
Reference
(5R,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl (2E,4E)-6,7-dihydroxy-2,4-octadienoate Structure
Systematic / IUPAC Name: (5R,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl (2E,4E)-6,7-dihydroxy-2,4-octadienoate
ID: Reference7557
Other Names: 2,4-Octadienoic acid, 6,7-dihydroxy-, (5R,9aS,9bS)-1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-1-oxonaphtho[1,2-c]furan-5-yl ester, (2E,4E)-
Formula: C23H32O7
Spectral Data
(5R,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl (2E,4E)-6,7-dihydroxy-2,4-octadienoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 112 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/16/2018 6:50:03 AM |
Identificators
| InChI | InChI=1S/C23H32O7/c1-14(24)16(25)8-5-6-9-18(26)30-17-12-15-13-29-20(27)23(15,28)22(4)11-7-10-21(2,3)19(17)22/h5-6,8-9,12,14,16-17,19,24-25,28H,7,10-11,13H2,1-4H3/b8-5+,9-6+/t14?,16?,17-,19?,22+,23+/m1/s1 |
| InChI Key | AVBLSPPEZPLINV-LPUDELNJSA-N |
| Canonical SMILES | CC(C(C=CC=CC(=O)OC1C=C2COC(=O)C2(C3(C1C(CCC3)(C)C)C)O)O)O |
| CAS | |
| Splash | |
| Other Names | 2,4-Octadienoic acid, 6,7-dihydroxy-, (5R,9aS,9bS)-1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-1-oxonaphtho[1,2-c]furan-5-yl ester, (2E,4E)- |