Basic information
- Standard SMILES
C=C(C)[C@@H]1CC[C@]2(C)/C=C/[C@@H](C)CC/C=C(\C)CC[C@@H]12- InChIKey
DQSHCYDPVQKJSC-YOXVTXONSA-N- Molecular formula
- C20H32
- Average molar mass
- 272.5 g/mol
- Monoisotopic mass
- 272.25040102
Overview
(1R,3aR,4E,6S,9E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulene has been reported in Dictyota spiralis with data available.
Names & identifiers
- Preferred name
- (1R,3aR,4E,6S,9E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulene
- IUPAC
- (1R,3aR,4E,6S,9E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulene
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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