(7S,8R,9R)-9-(1,3-Benzodioxol-5-yl)-6,7,8,9-tetrahydro-7,8-dimethylnaphtho(1,2-d)-1,3-dioxole
Basic information
- CAS
3738-01-0- Standard SMILES
C[C@H]1[C@H](c2ccc3c(c2)OCO3)c2c(ccc3c2OCO3)C[C@@H]1C- InChIKey
HTUIKPYRGODLDO-VNBZBWLYSA-N- Molecular formula
- C20H20O4
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.13615911
Overview
Otobain is a lignan.
Names & identifiers
- Preferred name
- (7S,8R,9R)-9-(1,3-Benzodioxol-5-yl)-6,7,8,9-tetrahydro-7,8-dimethylnaphtho(1,2-d)-1,3-dioxole
- IUPAC
- (7S,8R,9R)-9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
Names & synonyms
Otobain3738-01-01TL45YF84DNSC-119120NSC-407222Naphtho(1,2-d)-1,3-dioxole, 9-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-7,8-dimethyl-, (7S,8R,9R)-(7S,8R,9R)-9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole(7S,8R,9R)-9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-6,7,8,9-tetrahydrobenzo(g)(1,3)benzodioxoleRefChem:906293(7S,8R,9R)-9-(1,3-Benzodioxol-5-yl)-6,7,8,9-tetrahydro-7,8-dimethylnaphtho(1,2-d)-1,3-dioxoleOtobain [MI]UNII-1TL45YF84D
Show more names
CHEBI:7803Q27107589
Database identifiers
- CAS
3738-01-0- PubChem CID
- 442928
- ChEBI
CHEBI:7803- UNII
- 1TL45YF84D
- Nikkaji
- J20.727F
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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