Name: Atlantinone A
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HIT ID:HIT103607670
Cas No:1229025-12-0
Common Name:Atlantinone A
IUPAC:methyl 8-hydroxy-4,5,7,10,14,14-hexamethyl-6,17-dioxo-16-oxapentacyclo[13.2.2.0^{1,13}.0^{2,10}.0^{5,9}]nonadeca-3,7-diene-9-carboxylate
IUPAC:methyl 8-hydroxy-4,5,7,10,14,14-hexamethyl-6,17-dioxo-16-oxapentacyclo[13.2.2.0^{1,13}.0^{2,10}.0^{5,9}]nonadeca-3,7-diene-9-carboxylate
InChIKey:LISLGICORSJAKO-UHFFFAOYSA-N

Molecular Formula:C26H34O6
Molecular Weight:442.552
Hydrogen Bond Donor (HBD):1
Hydrogen Bond Acceptor (HBA):4
LogP:3.908
SMILES:COC(=O)C12C(O)=C(C)C(=O)C1(C)C(C)=CC1C2(C)CCC2C(C)(C)C3CCC12C(=O)O3 |c:15,t:6|
SMILES:COC(=O)C12C(O)=C(C)C(=O)C1(C)C(C)=CC1C2(C)CCC2C(C)(C)C3CCC12C(=O)O3 |c:15,t:6|

Atlantinone A is a natural product that can be used as a reference standard. The CAS number of Atlantinone A is 1229025-12-0.

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