Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Costunolide	553-21-9	6436243

Structure

Other Information

Canonical SMILES	CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C
Iso SMILES	CC1=CCC/C(=C/[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)/C
InChI	InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5?,11-9+/t13-,14+/m0/s1
InChI Key	HRYLQFBHBWLLLL-RFXWPVDASA-N
Formula	C15H20O2
Mol Weight	232.318
XlogP3	2.1
Charge	0

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Synonyms Information

CAS Name	(3aS,10E,11aR)-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
IUPAC Name	(3aS,10E,11aR)-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Openeye Name	(3aS,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Systematic Name	(3aS,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Tratitional Name	(3aS,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one