(-)-Dihydroclusin
Basic information
- CAS
73149-51-6- Standard SMILES
COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC- InChIKey
FDHFWHRGVDRJIK-IRXDYDNUSA-N- Molecular formula
- C22H28O7
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.18350323
Overview
(-)-dihydroclusin has been reported in Piper cubeba and Justicia procumbens with data available.
Names & identifiers
- Preferred name
- (-)-Dihydroclusin
- IUPAC
- (2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol
Names & synonyms
(-)-dihydroclusin73149-51-6CHEMBL469916NSC 332042NSC-332042Dihydroclusin, (-)-JZY8N27PKTDTXSID10318502BDBM50259874NSC332042(2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol(2R,3R)-2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol
Show more names
(2R,3R)-2-(1,3-Benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,4-butanediol1,4-Butanediol, 2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-, (2R,3R)-1,4-Butanediol, 2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-, [R-(R*,R*)]-
Database identifiers
- CAS
73149-51-6- PubChem CID
- 332806
- DTXSID
DTXSID10318502- ChEMBL
CHEMBL469916- UNII
- JZY8N27PKT
- Nikkaji
- J2.146.599B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 462
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Related reactions
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Compound notes
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