Calocarpin
7825
Reference
Calocarpin Structure
Systematic / IUPAC Name: 2-(3-Methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
ID: Reference7825
Other Names: 6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-2-(3-methyl-2-buten-1-yl)-
Formula: C20H20O4
Spectral Data
Calocarpin 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 | 3 |
| No. of Spectra | 4927 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/20/2018 11:12:28 AM |
Identificators
| InChI | InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3 |
| InChI Key | CYXCYFYWIZXENQ-UHFFFAOYSA-N |
| Canonical SMILES | CC(=CCC1=C(C=C2C(=C1)C3C(CO2)C4=C(O3)C=C(C=C4)O)O)C |
| CAS | |
| Splash | |
| Other Names | 6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-2-(3-methyl-2-buten-1-yl)- |