Endiandric acid B
Basic information
- CAS
76060-33-8- Standard SMILES
O=C(O)/C=C/C[C@@H]1[C@H]2C=C[C@@H]3[C@@H]4[C@H]2[C@H]1C[C@H]4C=C[C@H]3c1ccccc1- InChIKey
OXHPUGDWCMBQGE-BKJMHZRVSA-N- Molecular formula
- C23H24O2
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.17763
Names & identifiers
- Preferred name
- Endiandric acid B
- IUPAC
- (E)-4-[(1S,2S,3R,6R,7R,10S,11S,12S)-7-phenyl-2-tetracyclo[8.2.1.03,12.06,11]trideca-4,8-dienyl]but-2-enoic acid
Names & synonyms
Endiandric acid BEndiandric acid B [MI]UNII-HAH2NZP9F9HAH2NZP9F976060-33-82-Butenoic acid, 4-((1R,1aS,3aS,4S,6aR,7aR,7bR,7cr)-1a,3a,4,6a,7,7a,7b,7c-octahydro-4-phenyl-1H-cyclobut(bc)acenaphthylen-1-yl)-, (2E)-rel-Rel-(2E)-4-((1R,1aS,3aS,4S,6aR,7aR,7bR,7cr)-1a,3a,4,6a,7,7a,7b,7c-octahydro-4-phenyl-1H-cyclobut(bc)acenaphthylen-1-yl)-2-butenoic acidEndiandrate b(E)-4-((1S,2S,3R,6R,7R,10S,11S,12S)-7-phenyl-2-tetracyclo(8.2.1.03,12.06,11)trideca-4,8-dienyl)but-2-enoic acid(E)-4-[(1S,2S,3R,6R,7R,10S,11S,12S)-7-phenyl-2-tetracyclo[8.2.1.03,12.06,11]trideca-4,8-dienyl]but-2-enoic acidRefChem:1367722-BUTENOIC ACID, 4-(1A,2,2A,5,5A,7A,7B,7C-OCTAHYDRO-5-PHENYL-1H-CYCLOBUT(BC)ACENAPHTHYLEN-1-YL)-, (1.ALPHA.(E),1A.ALPHA.,2A.BETA.,5.ALPHA.,5A.ALPHA.,7A.ALPHA.,7B.ALPHA.,7C.ALPHA.)-(+-)-
Show more names
2-BUTENOIC ACID, 4-(1A,2,2A,5,5A,7A,7B,7C-OCTAHYDRO-5-PHENYL-1H-CYCLOBUT(BC)ACENAPHTHYLEN-1-YL)-, (1ALPHA(E),1AALPHA,2ABETA,5ALPHA,5AALPHA,7AALPHA,7BALPHA,7CALPHA)-(+-)-SCHEMBL32006622-Butenoic acid, 4-(1a,2,2a,5,5a,7a,7b,7c-octahydro-5-phenyl-1H-cyclobut(bc)acenaphthylen-1-yl)-, (1alpha(E),1aalpha,2abeta,5alpha,5aalpha,7aalpha,7balpha,7calpha)-(+/-)-Q272798272-BUTENOIC ACID, 4-(1A,2,2A,5,5A,7A,7B,7C-OCTAHYDRO-5-PHENYL-1H-CYCLOBUT(BC)ACENAPHTHYLEN-1-YL)-, (1.ALPHA.(E),1A.ALPHA.,2A.BETA.,5.ALPHA.,5A.ALPHA.,7A.ALPHA.,7B.ALPHA.,7C.ALPHA.)-(+/-)-
Database identifiers
- CAS
76060-33-8- PubChem CID
- 20055087
- UNII
- HAH2NZP9F9
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 624
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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