Basic information
- CAS
178970-36-0- 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]4OC(C)(C)O[C@@H]4[C@@H](C)O2)[C@]13C(=O)O- InChIKey
YIJXUKFDZCRZIC-PUEHRTJOSA-N- Molecular formula
- C29H42O7
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.29305367
Names & identifiers
- Preferred name
- 1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 8a-(((2,6-dideoxy-3,4-O-(1-methylethylidene)-beta-D-ribo-hexopyranosyl)oxy)methyl)-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, (1R,3aR,4S,4aR,7R,7aR,8aS)-
- IUPAC
- (1R,2S,4R,5R,8R,9S,11R)-2-[[(3aR,4R,6R,7aS)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-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
178970-36-0GM193663GM193663A1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 8a-(((2,6-dideoxy-3,4-O-(1-methylethylidene)-beta-D-ribo-hexopyranosyl)oxy)methyl)-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, (1R,3aR,4S,4aR,7R,7aR,8aS)-GM 1936631,4-Methano-s-indacene-3a(1H)-carboxylic acid, 8a-[[[2,6-dideoxy-3,4-O-(1-methylethylidene)-beta-D-ribo-hexopyranosyl]oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, (1R,3aR,4S,4aR,7R,7aR,8aS)-DTXSID70939136(1R,2S,4R,5R,8R,9S,11R)-2-[[(3Ar,4R,6R,7aS)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxymethyl]-9-formyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid(1R,3aR,4S,4aR,7R,7aR,8aS)-8a-({[2,6-Dideoxy-3,4-O-(1-methylethylidene)-beta-D-ribo-hexopyranosyl]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[(3aR,4R,6R,7aS)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxymethyl-formyl-isopropyl-methyl-[?]carboxylic acid
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 988
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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