Tetrahydro pr toxin
Basic information
- CAS
56326-23-9- Standard SMILES
CC(=O)OC1C2OC2C2=CC(O)C3(CC2(C)C1C)OC3(C)CO- InChIKey
KSDOPZSKUQIHOS-UHFFFAOYSA-N- Molecular formula
- C17H24O6
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.15728848
Names & identifiers
- Preferred name
- Tetrahydro pr toxin
- IUPAC
- [6-hydroxy-3'-(hydroxymethyl)-3,3',3a-trimethylspiro[1a,2,3,4,6,7b-hexahydronaphtho[1,2-b]oxirene-5,2'-oxirane]-2-yl] acetate
Names & synonyms
Tetrahydro pr toxin56326-23-9BRN 1263891Spiro(naphth(1,2-b)oxirene-5(1a-H),2'-oxirane)-2,6-diol, 2,3,3a,4,6,7b-hexahydro-3'-(hydroxymethyl)-3,3',3a-trimethyl-, 2-acetateDTXSID009717616-Hydroxy-3'-(hydroxymethyl)-3,3',3a-trimethyl-2,3,3a,4,6,7b-hexahydro-1aH-spiro[naphtho[1,2-b]oxirene-5,2'-oxiran]-2-yl acetate
Database identifiers
- CAS
56326-23-9- PubChem CID
- 148778
- DTXSID
DTXSID00971761
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 602
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Related reactions
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Compound notes
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