Flexibilide structure

Flexibilide

(1R,4S,6S,9E,13S,14R)-13-hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one

Also Known As: Flexibilide|Sinularin|hydroxy-trimethyl-methylene-[?]one|ND-2200|SID:350085936|(1R,4S,6S,9E,13S,14R)-13-Hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one|(1R,4S,6S,9E,13S,14R)-13-hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo(12.3.1.04,6)octadec-9-en-16-one|5,15-Dioxatricyclo(12.3.1.0(4,6))octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, (1R-(1R*,4S*,6S*,9E,13S*,14R*))-|5,15-Dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, [1R-(1R*,4S*,6S*,9E,13S*,14R*)]-|5,15-Dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, 1R-(1R*,4S*,6S*,13S*,14R*)-

CAS: 65669-72-9
Molecular Formula C20H30O4
Molecular Weight 334.21442 g/mol
LogP 3.6833
Topological Polar Surface Area 59.06 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 0
Exact Mass 334.21442
Monoisotopic Mass 334.21442
Heavy Atoms 24
Complexity 561.98615

Chemical Identifiers

CAS Number 65669-72-9
SMILES C/C/1=C\CC[C@]([C@H]2C[C@@H](CC[C@]3([C@@H](O3)CC1)C)C(=C)C(=O)O2)(C)O

Product Overview

Flexibilide (CAS 65669-72-9), with molecular formula C20H30O4 and molecular weight 334.21442 g/mol. IUPAC: (1R,4S,6S,9E,13S,14R)-13-hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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