2,9(1H,3H)-Phenanthrenedione, 4,4a,10,10a-tetrahydro-7-hydroxy-1,1,4a,6-tetramethyl-, (4aS-trans)-
Basic information
- CAS
116425-93-5- Standard SMILES
Cc1cc2c(cc1O)C(=O)C[C@H]1C(C)(C)C(=O)CC[C@]21C- InChIKey
LADNAJMEYZHPOD-MAUKXSAKSA-N- Molecular formula
- C18H22O3
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.15689456
Overview
2,9(1H,3H)-Phenanthrenedione, 4,4a,10,10a-tetrahydro-7-hydroxy-1,1,4a,6-tetramethyl-, (4aS-trans)- has been reported in Azadirachta indica with data available.
Names & identifiers
- Preferred name
- 2,9(1H,3H)-Phenanthrenedione, 4,4a,10,10a-tetrahydro-7-hydroxy-1,1,4a,6-tetramethyl-, (4aS-trans)-
- IUPAC
- (4aS,10aR)-7-hydroxy-1,1,4a,6-tetramethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
Names & synonyms
116425-93-5NimbioneDTXSID709220682,9(1H,3H)-Phenanthrenedione, 4,4a,10,10a-tetrahydro-7-hydroxy-1,1,4a,6-tetramethyl-, (4aS-trans)-13-Hydroxy-12-methylpodocarpa-8(14),9(11),12-triene-3,7-dione
Database identifiers
- CAS
116425-93-5- PubChem CID
- 189404
- DTXSID
DTXSID70922068
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 481
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Related reactions
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Compound notes
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