(1S,9R,11S,19R)-1,8,11,18-Tetramethyl-5,9,10,11,15,18,19,20-octahydro-4H,7H-1,19:9,11-diethanodibenzo(c,k)(1,9)dioxacyclohexadecine-4,7,14,17(1H,8H)-tetrone
Basic information
- CAS
57901-39-0- Standard SMILES
C[C@@H]1C(=O)OCC2=C3C[C@@H](CC[C@@]3(C)C=CC2=O)[C@H](C)C(=O)OCC2=C3C[C@H]1CC[C@@]3(C)C=CC2=O- InChIKey
ILKXBUFXPNPCHO-HQVDOUSHSA-N- Molecular formula
- C30H36O6
- Average molar mass
- 492.6 g/mol
- Monoisotopic mass
- 492.25118886
Names & identifiers
- Preferred name
- (1S,9R,11S,19R)-1,8,11,18-Tetramethyl-5,9,10,11,15,18,19,20-octahydro-4H,7H-1,19:9,11-diethanodibenzo(c,k)(1,9)dioxacyclohexadecine-4,7,14,17(1H,8H)-tetrone
- IUPAC
- (5S,6R,9S,17S,18R,21S)-5,9,17,21-tetramethyl-3,15-dioxapentacyclo[16.6.2.26,9.08,13.021,25]octacosa-1(25),8(13),10,22-tetraene-4,12,16,24-tetrone
Names & synonyms
NSC36124257901-39-0NSC 361242(1S,9R,11S,19R)-1,8,11,18-Tetramethyl-5,9,10,11,15,18,19,20-octahydro-4H,7H-1,19:9,11-diethanodibenzo(c,k)(1,9)dioxacyclohexadecine-4,7,14,17(1H,8H)-tetrone(1S,9R,11S,19R)-1,8,11,18-Tetramethyl-5,9,10,11,15,18,19,20-octahydro-4H,7H-1,19:9,11-diethanodibenzo[c,k][1,9]dioxacyclohexadecine-4,7,14,17(1H,8H)-tetronetetramethyl[?]tetroneDTXSID20206623NSC-361242(1~4a~S,1~7~R,5S,6~4a~S,6~7~R,10S)-1~4a~,5,6~4a~,10-Tetramethyl-1~2~,1~4a~,1~5~,1~6~,1~7~,1~8~,6~2~,6~4a~,6~5~,6~6~,6~7~,6~8~-dodecahydro-3,8-dioxa-1(1,7),6(7,1)-dinaphthalenacyclodecaphane-1~2~,4,6~2~,9-tetrone
Database identifiers
- CAS
57901-39-0- PubChem CID
- 338464
- DTXSID
DTXSID20206623
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,060
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…