99395-88-7 Purity
>99.0%(GC)
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The molecular formula of Spirocardin B is C20H32O6.
Spirocardin B was created on 2005-08-08 and last modified on 2023-12-30.
The computed IUPAC name of Spirocardin B is 4-[2-[2-(1,2-dihydroxyethyl)oxiran-2-yl]-2-hydroxyethyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one.
The InChI key of Spirocardin B is PDPQILPMCDOHDB-UHFFFAOYSA-N.
The canonical SMILES representation of Spirocardin B is CC1C(C(=O)C2(C(C1(C)CC(C3(CO3)C(CO)O)O)CCC=C2C)C)O.
The molecular weight of Spirocardin B is 368.5 g/mol.
There are 4 hydrogen bond donor counts in Spirocardin B.
There are 5 rotatable bond counts in Spirocardin B.
The topological polar surface area of Spirocardin B is 111 Å2.
Yes, Spirocardin B is a canonicalized compound according to PubChem.
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