17-(5-Hydroperoxy-6-methylhept-6-en-2-yl)-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Basic information
- Standard SMILES
C=C(C)C(CCC(C)C1CCC2C3CC(O)C4=CC(=O)CCC4(C)C3CCC12C)OO- InChIKey
ZCYAJVHKULICIB-UHFFFAOYSA-N- Molecular formula
- C27H42O4
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.30830982
Overview
17-(5-Hydroperoxy-6-methylhept-6-en-2-yl)-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one has been reported in Dichotomaria marginata with data available.
Names & identifiers
- Preferred name
- 17-(5-Hydroperoxy-6-methylhept-6-en-2-yl)-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- IUPAC
- 17-(5-hydroperoxy-6-methylhept-6-en-2-yl)-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 756
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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