OBACUNOIC ACID structure

OBACUNOIC ACID

3-[11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]prop-2-enoic acid

Also Known As: OBACUNOIC ACID

CAS: 751-29-1
Molecular Formula C26H32O8
Molecular Weight 472.20972 g/mol
LogP 3.4447
Topological Polar Surface Area 126.57 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 4
Exact Mass 472.20972
Monoisotopic Mass 472.20972
Heavy Atoms 34
Complexity 1082.7742

Chemical Identifiers

CAS Number 751-29-1
SMILES CC12CCC3C(C(CC(=O)C3(C14C(O4)C(=O)OC2C5=COC=C5)C)C(C)(C)O)(C)C=CC(=O)O

Product Overview

OBACUNOIC ACID (CAS 751-29-1), with molecular formula C26H32O8 and molecular weight 472.20972 g/mol. IUPAC: 3-[11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]prop-2-enoic acid.

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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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