94507-28-5 Purity
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Specification
The molecular formula of 9,21-Dehydroryanodine is C25H33NO9.
The molecular weight of 9,21-Dehydroryanodine is 491.5 g/mol.
9,21-Dehydroryanodine was first created in the database on 2005-08-08.
Another name for 9,21-Dehydroryanodine is Dehydro-ryanodine.
9,21-Dehydroryanodine has 7 hydrogen bond donor counts.
The Isomeric SMILES for 9,21-Dehydroryanodine is CC(C)[C@]1([C@H]([C@]2([C@]3(C[C@]4([C@@]1([C@@]2([C@@]5([C@@]3(CCC(=C)[C@H]5O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O.
The InChIKey of 9,21-Dehydroryanodine is BPFNBBLVUYSFRK-OHEPIYSBSA-N.
9,21-Dehydroryanodine has a topological polar surface area of 173?2.
The Canonical SMILES of 9,21-Dehydroryanodine is CC(C)C1(C(C2(C3(CC4(C1(C2(C5(C3(CCC(=C)C5O)O4)O)C)O)C)O)C)OC(=O)C6=CC=CN6)O.
9,21-Dehydroryanodine has 10 defined atom stereocenter counts.