[(1R,4Ar,8S,8Ar)-8-Hydroxy-7-Methoxy-8A-(Methoxymethyl)-2-Methyl-5-Oxo-1,4,4A,5,8,8A-Hexahydro-1-Naphthalenyl]Acetic Acid
Properties
Property | Value |
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Formula | C16H22O6 |
IUPAC Name | 2-[(1r,4ar,8s,8ar)-8-hydroxy-7-methoxy-8a-(methoxymethyl)-2-methyl-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid |
Molecular Mass | 310.342 g·mol−1 |
Heat of Formation | -1035.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.80 ± 1.08 D |
Volume | 362.52 Å 3 |
Surface Area | 299.63 Å 2 |
HOMO Energy | -9.54 ± 0.55 eV |
LUMO Energy | -0.17 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | LGJXBLLAGXPSPK-TZCMFKBTSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |