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(18S,19R,20S,22R)-21-oxahexacyclo[12.9.0.03,12.04,9.017,23.020,22]tricosa-1(14),2,4,6,8,10,12,15,17(23)-nonaene-18,19-diol;perchloric acid

HCID 180271
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Basic information

CAS
124578-22-9
Standard SMILES
O[C@H]1[C@@H]2O[C@@H]2c2c(ccc3cc4ccc5ccccc5c4cc23)[C@@H]1O.[O-][Cl+3]([O-])([O-])O
InChIKey
RVMXLUVNZYQCAA-ITHQHCIYSA-N
Molecular formula
C22H17ClO7
Average molar mass
428.8 g/mol
Monoisotopic mass
428.0662806

Names & identifiers

Preferred name
(18S,19R,20S,22R)-21-oxahexacyclo[12.9.0.03,12.04,9.017,23.020,22]tricosa-1(14),2,4,6,8,10,12,15,17(23)-nonaene-18,19-diol;perchloric acid
IUPAC
(18S,19R,20S,22R)-21-oxahexacyclo[12.9.0.03,12.04,9.017,23.020,22]tricosa-1(14),2,4,6,8,10,12,15,17(23)-nonaene-18,19-diol;perchloric acid

Names & synonyms

124578-22-9

Database identifiers

CAS
124578-22-9
PubChem CID
180271

Properties

Computed structural properties

Topological polar surface area
124 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
0
Heavy atoms
30
Formal charge
0
Complexity
649

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Compound notes

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