Clausine D

Catalog Number	ACM142846955
CAS Number	142846-95-5
Synonyms	1-Hydroxy-4-(3-methyl-2-butenyl)-9H-carbazole-3-carboxaldehyde
IUPAC Name	1-hydroxy-4-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
Molecular Weight	279.33
Molecular Formula	C18H17NO2
Canonical SMILES	CC(=CCC1=C2C3=CC=CC=C3NC2=C(C=C1C=O)O)C
InChI	InChI=1S/C18H17NO2/c1-11(2)7-8-13-12(10-20)9-16(21)18-17(13)14-5-3-4-6-15(14)19-18/h3-7,9-10,19,21H,8H2,1-2H3
InChI Key	PNBKXALRNLUCJB-UHFFFAOYSA-N
Purity	98%
Appearance	Solid
Complexity	415
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	279.125928785
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Monoisotopic Mass	279.125928785
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	53.1 Ų

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