Basic information
- CAS
83560-98-9- Standard SMILES
C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@H]2C=C(C(=O)O2)[C@@H]2O[C@H]12- InChIKey
HGJODUIUVPXWLZ-ZMKKGPNFSA-N- Molecular formula
- C21H22O6
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.14163842
Overview
Pseudopterolide has been reported in Antillogorgia acerosa and Pseudopterogorgia with data available.
Names & identifiers
- Preferred name
- Pseudopterolide
- IUPAC
- methyl (2S,4R,5R,11R,12R)-14-oxo-5,11-bis(prop-1-en-2-yl)-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylate
Names & synonyms
Pseudopterolide83560-98-93,13,16-Trioxatetracyclo(10.2.1.17,10.02,4)hexadeca-1(15),7,9-triene-8-carboxylic acid, 5,11-bis(1-methylethenyl)-14-oxo-, methyl ester, (2S-(2R*,4S*,5S*,11S*,12S*))-RefChem:176979methyl (2S,4R,5R,11R,12R)-14-oxo-5,11-bis(prop-1-en-2-yl)-3,13,16-trioxatetracyclo(10.2.1.17,10.02,4)hexadeca-1(15),7,9-triene-8-carboxylateNSC682341NSC 344015NSC-682341
Database identifiers
- CAS
83560-98-9- PubChem CID
- 196253
- ChEMBL
CHEMBL476887
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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