14-Hydroxybufa-3,5,20,22-tetraenolide

HCID 11014

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Basic information

CAS: 545-51-7
Standard SMILES: C[C@]12CCC=CC1=CCC1C2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O
InChIKey: KBOQXVVZFSWICE-BSKUUKNUSA-N
Molecular formula: C24H30O3
Average molar mass: 366.5 g/mol
Monoisotopic mass: 366.21949481

Names & identifiers

Preferred name: 14-Hydroxybufa-3,5,20,22-tetraenolide
IUPAC: 5-[(10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

Names & synonyms

545-51-7DTXSID0096968314-Hydroxybufa-3,5,20,22-tetraenolideRefChem:1057513DTXCID101397233Scillaridin AScillaridine5-[(10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyran-2-oneBRN 004734614-Hydroxy-bufa-3,5,20,22-tetraenolideBufogenatetraen-(3,5,20,22)-olid [German]14-Oxy-bufotetraen-(3,5,20,22)-olid [German]

Show more names

14-Oxy-scilltetraen-(3,5,20,22)-olid [German]Bufogenatetraen-(3,5,20,22)-olid14-Oxy-bufotetraen-(3,5,20,22)-olid14-Oxy-scilltetraen-(3,5,20,22)-olid4-18-00-00682 (Beilstein Handbook Reference)BUFA-3,5,20,22-TETRAENOLIDE, 14-HYDROXY-FS6165514beta-Hydroxybufa-3,5,20,22-tetraenolide

Database identifiers

CAS: 545-51-7
PubChem CID: 11014
DTXSID: DTXSID00969683

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 27
Formal charge: 0
Complexity: 802

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