1 (10) -Aristolone-2-one

CAT: 1407-AB3552Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1407-AB3552Size:10 mg

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CAS Number

28398-06-3

Purity

98% (HPLC)

Molecular Formula

C15H22O

Molecular Weight

218.33

Chemical Information

1(10)-Aristolen-2-one

1(10)-Aristolen-2-one is a sesquiterpenoid. It derives from a hydride of an aristolane.

CAS Number	28398-06-3
PubChem CID	71717616
IUPAC Name	(1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1a,2,3,6,7,7b-hexahydrocyclopropa[a]naphthalen-5-one
Molecular Formula	C15H22O
Molecular Weight	218.33
XLogP	3.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	390

SMILES

C[C@@H]1CC(=O)C=C2[C@]1([C@H]3[C@H](C3(C)C)CC2)C

InChI

InChI=1S/C15H22O/c1-9-7-11(16)8-10-5-6-12-13(14(12,2)3)15(9,10)4/h8-9,12-13H,5-7H2,1-4H3/t9-,12-,13+,15+/m1/s1

InChIKey

OHIBAYUTHVYXER-JWFUOXDNSA-N

Chemical Structure

2D Structure

CAS: 28398-06-3

CID: 71717616

Formula: C15H22O

MW: 218.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.33
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	218.167065321
Monoisotopic Mass	218.167065321
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	390
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AB0258	Aristolone
AB2790	(1 (10) E,2R,5R) -2-methoxy-5-acetoxyfuranogermacr-1 (10) -en-6-one
AB1930	1- (2,6-Dimethoxyphenyl) -3- (4-hydroxyphenyl) -2-propen-1-one
AB1378	10-Hydroxy-2-decenoic acid
AB3535	4H,8H-Benzo[1,2-b:3,4-b′]dipyran-4-one, 2,3,9,10-tetrahydro-2- (4-hydroxyphenyl) -8,8-dimethyl-
AB2617	1- (4-hydroxybenzyl) -4-methoxy-9,10-dihydropenanthrene-2,7-diol
ABL1065	4-[2- (β-D-Glucopyranosyloxy) ethyl]-4-hydroxy-2,5-cyclohexadien-1-one
AB1065	4-[2- (β-D-Glucopyranosyloxy) ethyl]-4-hydroxy-2,5-cyclohexadien-1-one
AB2407	10-Hydroxycamptothecin
AB0912	10-Methoxycamptothecine

Catalog	Name
AQ BD AN20-01	10- (2-aminophenyl) -10-methylanthracen-9-one
HY-N8422-01	1 (10) -Aristolen-2-one
274421	2,10-Dimethylundecan-6-one
1604-34-8	6,10-dimethylundecan-2-one
OR27713	Oxacycloheptadec-10-en-2-one
MBS5761127	1(10)-Aristolen-2-one
FH HB 0003-01	10-hydroxy-10- (2-phenylphenyl) anthracen-9-one
OR13502	6,10,14-Trimethylpentadecan-2-one
LCA43271-01	Bisabola-3,10-dien-2-one
AQ BD AN18-01	10,10-dimethylanthracen-9-one