Rudmollin
Basic information
- CAS
76467-15-7- Standard SMILES
C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3CC[C@H](O)[C@@]3(CO)C[C@H]12- InChIKey
MRKDDZNWFZRYRN-DGAUTFDNSA-N- Molecular formula
- C15H22O4
- Average molar mass
- 266.33 g/mol
- Monoisotopic mass
- 266.15180918
Overview
Rudmollin has been reported in Rudbeckia subtomentosa and Rudbeckia mollis with data available.
Names & identifiers
- Preferred name
- Rudmollin
- IUPAC
- (3aR,5S,5aS,8S,8aS,9aR)-8-hydroxy-8a-(hydroxymethyl)-5-methyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
- English name
- rudmollin
- Molecular formula
- C15H22O4
- Molecular weight
- 266.33278
Names & synonyms
Rudmollin76467-15-7(3aR,5S,5aS,8S,8aS,9aR)-8-hydroxy-8a-(hydroxymethyl)-5-methyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-oneDTXSID60227271(3aR,5S,5aS,8S,8aS,9aR)-8-hydroxy-8a-(hydroxymethyl)-5-methyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno(6,5-b)furan-2-oneRefChem:180285DTXCID60149762NSC335664NSC 335664NSC-335664(3aR,4aS,5S,7aS,8S,9aR)-5-hydroxy-4a-(hydroxymethyl)-8-methyl-3-methylenedecahydroazuleno[6,5-b]furan-2(3H)-one(3aR,4aS,5S,7aS,8S,9aR)-5-Hydroxy-4a-(hydroxymethyl)-8-methyl-3-methylidenedecahydroazuleno[6,5-b]furan-2(3H)-one
Show more names
(3aR,7aα,9aα)-3a,4,4a,5,6,7,7a,8,9,9a-Decahydro-5β-hydroxy-4aβ-hydroxymethyl-8β-methyl-3-methyleneazuleno[6,5-b]furan-2(3H)-one
Azuleno[6, decahydro-5-hydroxy-4a-(hydroxymethyl)-8-methyl-3-methylene-, [3aR-(3a.alpha.,4a.beta.,5.beta.,7a.alpha.,8.beta.,9a.alpha.)]-
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 418
Chemistry & industry
Applications
DescriptionRudmollin is an antileukemial agent.
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Related reactions
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Compound notes
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