(12-Hydroxy-2,2',2',6,9,13-hexamethyl-16-methylidene-6',11,15-trioxospiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,3'-pyran]-8-yl) acetate
Basic information
- CAS
61103-89-7- Standard SMILES
C=C1C2(C)OC(=O)C3(O)C(C)OC(=O)C13C1(C)CCC3(C=CC(=O)OC3(C)C)C(C)=C1C2OC(C)=O- InChIKey
DEMDOYQPCDXCEB-UHFFFAOYSA-N- Molecular formula
- C27H32O9
- Average molar mass
- 500.5 g/mol
- Monoisotopic mass
- 500.20463259
Overview
(12-Hydroxy-2,2',2',6,9,13-hexamethyl-16-methylidene-6',11,15-trioxospiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,3'-pyran]-8-yl) acetate has been reported in Penicillium simplicissimum and Penicillium with data available.
Names & identifiers
- Preferred name
- (12-Hydroxy-2,2',2',6,9,13-hexamethyl-16-methylidene-6',11,15-trioxospiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,3'-pyran]-8-yl) acetate
- IUPAC
- (12-hydroxy-2,2',2',6,9,13-hexamethyl-16-methylidene-6',11,15-trioxospiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,3'-pyran]-8-yl) acetate
Names & synonyms
NSC280416
Database identifiers
- CAS
61103-89-7- PubChem CID
- 430632
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,230
Experimental & physicochemical properties
Melting Point298 - 300 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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