1,2-Didehydrocrinan-3-ol
Basic information
- CAS
510-67-8- Standard SMILES
OC1C=CC23CCN(Cc4cc5c(cc42)OCO5)C3C1- InChIKey
RPAORVSEYNOMBR-UHFFFAOYSA-N- Molecular formula
- C16H17NO3
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.1208434
Overview
1,2-Didehydrocrinan-3-ol has been reported in Pancratium maritimum, Brunsvigia gregaria, and other organisms with data available.
Names & identifiers
- Preferred name
- 1,2-Didehydrocrinan-3-ol
- IUPAC
- 5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-ol
Names & synonyms
(-)-CrinineC16 alkaloid1,2-Didehydrocrinan-3-olCrinan-3alpha-ol, 1,2-didehydro-1,2-Didehydrocrinan-3-ol #SCHEMBL19532548DTXSID40275972(3R,4aR,5S,11bS)-4,4a-Dihydro-3H,6H-5,11b-ethano[1,3]dioxolo[4,5-j]phenanthridin-3-olRPAORVSEYNOMBR-UHFFFAOYSA-NAKOS040734813Crinan-3-ol,1,2-didehydro-(3.beta.-T124739
Database identifiers
- CAS
510-67-8、5246-52-6- PubChem CID
- 101727
- DTXSID
DTXSID40275972
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 453
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Related reactions
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Compound notes
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