1,2,3,4,7,7a,8,9,10,11,14,14a-Dodecahydrochromeno[2,3-b]xanthene-4a,11a-diol
Basic information
- CAS
66714-92-9- Standard SMILES
OC12CCCCC1Cc1cc3c(cc1O2)CC1CCCCC1(O)O3- InChIKey
ODIGPBPLKQSODW-UHFFFAOYSA-N- Molecular formula
- C20H26O4
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.18310931
Names & identifiers
- Preferred name
- 1,2,3,4,7,7a,8,9,10,11,14,14a-Dodecahydrochromeno[2,3-b]xanthene-4a,11a-diol
- IUPAC
- 1,2,3,4,7,7a,8,9,10,11,14,14a-dodecahydrochromeno[2,3-b]xanthene-4a,11a-diol
Names & synonyms
66714-92-9NSC3108321,2,3,4,7,7a,8,9,10,11,14,14a-dodecahydrochromeno[2,3-b]xanthene-4a,11a-diolDTXSID50317099NSC-3108321,2,3,4,7,7a,8,9,10,11,14,14a-Dodecahydro[1]benzopyrano[2,3-b]xanthene-4a,11a-diol
Database identifiers
- CAS
66714-92-9- PubChem CID
- 329286
- DTXSID
DTXSID50317099
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 452
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Related reactions
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Compound notes
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