Soularubinone structure

Soularubinone

(4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 3-hydroxy-3-methylbutanoate

Also Known As: Soularubinone|(4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 3-hydroxy-3-methylbutanoate|1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 3-hydroxy-3-methylbutanoate|[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-hydroxy-3-methylbutanoate

CAS: 74156-49-3
Molecular Formula C25H34O10
Molecular Weight 494.2152 g/mol
LogP -0.15
Topological Polar Surface Area 159.82 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
Rotatable Bonds 3
Exact Mass 494.2152
Heavy Atoms 35
Complexity 1014.2

Chemical Identifiers

CAS Number 74156-49-3
SMILES CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O)OC(=O)CC(C)(C)O

Product Overview

Soularubinone (CAS 74156-49-3), with molecular formula C25H34O10 and molecular weight 494.2152 g/mol. IUPAC: (4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 3-hydroxy-3-methylbutanoate.

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