(3S,11Z)-16-Hydroxy-3-Methyl-1,7-Dioxo-3,4,5,6,7,8,9,10-Octahydro-1H-2-Benzoxacyclotetradecin-14-Yl Hydrogen Sulfate
Properties
Property | Value |
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Formula | C18H22O8S |
IUPAC Name | [(4s,12z)-18-hydroxy-4-methyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-16-yl] hydrogen sulfate |
Molecular Mass | 398.427 g·mol−1 |
Heat of Formation | -1380.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.50 ± 1.08 D |
Volume | 445.25 Å 3 |
Surface Area | 361.72 Å 2 |
HOMO Energy | -9.67 ± 0.55 eV |
LUMO Energy | -0.94 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | GQAJNGUAQKYPCH-MIBUCLJRSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O |