Methyl 1-benzyl-5-hydroxy-4-(6-hydroxy-4,6-dimethyl-5,8-dioxooct-1-enyl)-7-methyl-6-methylidene-3-oxo-1,2,4,5,7,7a-hexahydroisoindole-3a-carboxylate
AlkaPlorer ID: AK379098
Synonym: None
IUPAC Name: methyl 1-benzyl-5-hydroxy-4-(6-hydroxy-4,6-dimethyl-5,8-dioxooct-1-enyl)-7-methyl-6-methylidene-3-oxo-1,2,4,5,7,7a-hexahydroisoindole-3a-carboxylate
Structure
SMILES: C=C1C(C)C2C(CC3=CC=CC=C3)NC(=O)C2(C(=O)OC)C(C=CCC(C)C(=O)C(C)(O)CC=O)C1O
InChI: InChI=1S/C29H37NO7/c1-17(25(33)28(4,36)14-15-31)10-9-13-21-24(32)19(3)18(2)23-22(16-20-11-7-6-8-12-20)30-26(34)29(21,23)27(35)37-5/h6-9,11-13,15,17-18,21-24,32,36H,3,10,14,16H2,1-2,4-5H3,(H,30,34)
InChIKey: FNFGHZWCGLTKCG-UHFFFAOYSA-N
Reference
Evolutionary stability of antibiotic protection in a defensive symbiosis
PubChem CID: 163108664
COCONUT: CNP0428785.1
Source
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Properties Information
Molecule Weight: 511.6150000000003
TPSA？: 130.0
MolLogP？: 2.1776000000000004
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 3
Activities Information
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