YW2
(1R,3R,7E,17beta)-17-{(5S)-5-hydroxy-5-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
Find entries where: YW2
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | (1R,3R,7E,17beta)-17-{(5S)-5-hydroxy-5-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol |
Identifiers | (1R,3R)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(5S)-5-(1-adamantyl)-5-oxidanyl-penta-1,3-diynyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol |
Formula | C34 H44 O3 |
Molecular Weight | 500.711 |
Type | NON-POLYMER |
Isomeric SMILES | C[C@]12CCC/C(=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2C#CC#C[C@H](C45CC6CC(C4)CC(C6)C5)O |
InChI | InChI=1S/C34H44O3/c1-22-30(35)17-23(18-31(22)36)9-10-27-6-5-13-33(2)28(11-12-29(27)33)7-3-4-8-32(37)34-19-24-14-25(20-34)16-26(15-24)21-34/h9-10,24-26,28-32,35-37H,1,5-6,11-21H2,2H3/b27-10+/t24-,25+,26-,28-,29-,30+,31+,32+,33+,34-/m0/s1 |
InChIKey | BFGRTJZGAMDLML-XMEPBAHGSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 81 |
Chiral Atom Count | 6 |
Bond Count | 86 |
Aromatic Bond Count | 0 |