Basic information
- CAS
179464-93-8- Standard SMILES
CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@H]4[C@H](OC[C@@H]4C)[C@@H](C)O2)[C@]13C(=O)O- InChIKey
MRWGDKAZJARYTL-OFQRIHBISA-N- Molecular formula
- C29H42O6
- Average molar mass
- 486.6 g/mol
- Monoisotopic mass
- 486.29813906
Names & identifiers
- Preferred name
- GM 222712
- IUPAC
- (1R,2S,4R,5R,8R,9S,11R)-2-[[(3R,3aR,5R,7R,7aS)-3,7-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran-5-yl]oxymethyl]-9-formyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Names & synonyms
179464-93-8GM 2227121,4-Methano-s-indacene-3a(1H)-carboxylic acid, 4-formyl-8a-((((3R,3aR,5R,7R,7aS)-hexahydro-3,7-dimethyl-2H-furo(2,3-c)pyran-5-yl)oxy)methyl)-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-,(1R,3aR,4S,4aR,7R,7aR,8aS)-1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 4-formyl-8a-[[[(3R,3aR,5R,7R,7aS)-hexahydro-3,7-dimethyl-2H-furo[2,3-c]pyran-5-yl]oxy]methyl]-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-,(1R,3aR,4S,4aR,7R,7aR,8aS)-RefChem:3466311,4-Methano-s-indacene-3a(1H)-carboxylic acid, 4-formyl-8a-[[[(3R,3aR,5R,7R,7aS)-hexahydro-3,7-dimethyl-2H-furo[2,3-c]pyran-5-yl]oxy]methyl]-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, (1R,3aR,4S,4aR,7R,7aR,8aS)-DTXSID80939228gm222712[(3R,3aR,5R,7R,7aS)-3,7-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran-5-yl]oxymethyl-formyl-isopropyl-methyl-[?]carboxylic acid(1R,3aR,4S,4aR,7R,7aR,8aS)-8a-({[(3R,3aR,5R,7R,7aS)-3,7-Dimethylhexahydro-2H-furo[2,3-c]pyran-5-yl]oxy}methyl)-4-formyl-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid8a-{[(3,7-Dimethylhexahydro-2H-furo[2,3-c]pyran-5-yl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 943
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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