Methyl 3-hydroxy-10,11-dimethoxy-2,4a,6,9,12b,14a-hexamethyl-4-oxo-1,2,3,4,4a,5,8,12b,13,14,14a,14b-dodecahydropicene-2-carboxylate
Basic information
- CAS
117860-09-0- Standard SMILES
COC(=O)C1(C)CC2C(C)(CC(C)=C3C4=CCc5c(cc(OC)c(OC)c5C)C4(C)CCC32C)C(=O)C1O- InChIKey
KJMPDXKVPLVYCO-UHFFFAOYSA-N- Molecular formula
- C32H42O6
- Average molar mass
- 522.7 g/mol
- Monoisotopic mass
- 522.29813906
Names & identifiers
- Preferred name
- Methyl 3-hydroxy-10,11-dimethoxy-2,4a,6,9,12b,14a-hexamethyl-4-oxo-1,2,3,4,4a,5,8,12b,13,14,14a,14b-dodecahydropicene-2-carboxylate
- IUPAC
- methyl 3-hydroxy-10,11-dimethoxy-2,4a,6,6a,9,14a-hexamethyl-4-oxo-3,5,8,13,14,14b-hexahydro-1H-picene-2-carboxylate
Names & synonyms
117860-09-03-O-Methylnetzahualcoyone 2-enol methyl ethermethyl 3-hydroxy-10,11-dimethoxy-2,4a,6,9,12b,14a-hexamethyl-4-oxo-1,2,3,4,4a,5,8,12b,13,14,14a,14b-dodecahydropicene-2-carboxylateDTXSID7092256824,25,26,27-Tetranoroleana-1,3,5(10),7,14-pentaen-29-oic acid, 21-hydroxy-2,3-dimethoxy-9,13,15-trimethyl-22-oxo-, methyl ester, (9beta,13alpha,20alpha,21beta)-D:A-Friedo-24,26-dinoroleana-1,3,5(10),7,14-pentaen-29-oic acid, 21-hydroxy-2,3-dimethoxy-15-methyl-22-oxo-, methyl ester, (20alpha,21beta)-
Database identifiers
- CAS
117860-09-0- PubChem CID
- 189526
- DTXSID
DTXSID70922568
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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