2-[(2E,6E,10Z)-14,15-Dihydroxy-11-(hydroxymethyl)-3,7,15-trimethyl-2,6,10-hexadecatrien-1-yl]-2,4,6,9-tetrahydroxy-5,7-dimethyl-1H-phenalene-1,3(2H)-dione
2-[(2E,6E,10Z)-14,15-Dihydroxy-11-(hydroxymethyl)-3,7,15-trimethyl-2,6,10-hexadecatrien-1-yl]-2,4,6,9-tetrahydroxy-5,7-dimethyl-1H-phenalene-1,3(2H)-dione Structure
Systematic / IUPAC Name: 2-[(2E,6E,10Z)-14,15-Dihydroxy-11-(hydroxymethyl)-3,7,15-trimethyl-2,6,10-hexadecatrien-1-yl]-2,4,6,9-tetrahydroxy-5,7-dimethyl-1H-phenalene-1,3(2H)-dione
ID: Reference8063
Other Names: 1H-Phenalene-1,3(2H)-dione, 2-[(2E,6E,10Z)-14,15-dihydroxy-11-(hydroxymethyl)-3,7,15-trimethyl-2,6,10-hexadecatrien-1-yl]-2,4,6,9-tetrahydroxy-5,7-dimethyl-
Formula: C35H46O9
Spectral Data
2-[(2E,6E,10Z)-14,15-Dihydroxy-11-(hydroxymethyl)-3,7,15-trimethyl-2,6,10-hexadecatrien-1-yl]-2,4,6,9-tetrahydroxy-5,7-dimethyl-1H-phenalene-1,3(2H)-dione 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 FAIMS |
| No. of Spectral Trees | 2 |
| No. of Spectra | 317 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/12/2018 12:11:02 PM |
Identificators
| InChI | InChI=1S/C35H46O9/c1-19(11-8-12-23(18-36)13-14-25(38)34(5,6)43)9-7-10-20(2)15-16-35(44)32(41)27-24(37)17-21(3)26-28(27)29(33(35)42)31(40)22(4)30(26)39/h9,12,15,17,25,36-40,43-44H,7-8,10-11,13-14,16,18H2,1-6H3/b19-9+,20-15+,23-12- |
| InChI Key | YKKQCMZRKKBHMY-FOMYIXLOSA-N |
| Canonical SMILES | CC1=CC(=C2C3=C1C(=C(C(=C3C(=O)C(C2=O)(CC=C(C)CCC=C(C)CCC=C(CCC(C(C)(C)O)O)CO)O)O)C)O)O |
| CAS | |
| Splash | |
| Other Names | 1H-Phenalene-1,3(2H)-dione, 2-[(2E,6E,10Z)-14,15-dihydroxy-11-(hydroxymethyl)-3,7,15-trimethyl-2,6,10-hexadecatrien-1-yl]-2,4,6,9-tetrahydroxy-5,7-dimethyl- |