ECH
beta,beta-caroten-4-one
Find entries where: ECH
is present as a standalone ligand in 26 entries
Chemical Component Summary | |
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Name | beta,beta-caroten-4-one |
Synonyms | echinenone |
Identifiers | 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one |
Formula | C40 H54 O |
Molecular Weight | 550.856 |
Type | NON-POLYMER |
Isomeric SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C |
InChI | InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+ |
InChIKey | QXNWZXMBUKUYMD-QQGJMDNJSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 95 |
Chiral Atom Count | 0 |
Bond Count | 96 |
Aromatic Bond Count | 0 |
Related Resource References
Resource Name | Reference |
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PubChem | 5281236 |
ChEBI | CHEBI:4746 |