Uncinatone

CAT: 0926-ZDA62492-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-ZDA62492-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

99624-92-7

MDL Number

MFCD26131261

Smiles

CC1CC2=C (C3=C (C (=C2O1) O) C4 (CCC (=C (C4=CC3=O) C) C) C) O

Molecular Formula

C20H22O4

Molecular Weight

326.4 g/mol

Controlled

Yes

Chemical Information

Uncinatone

Uncinatone is a member of phenanthrenes.

CAS Number	99624-92-7
PubChem CID	442547
IUPAC Name	(9S,11bS)-7,11-dihydroxy-3,4,9,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one
Molecular Formula	C20H22O4
Molecular Weight	326.4
XLogP	3.6
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	24
Formal Charge	0
Complexity	648

SMILES

C[C@H]1CC2=C(C3=C(C(=C2O1)O)[C@]4(CCC(=C(C4=CC3=O)C)C)C)O

InChI

InChI=1S/C20H22O4/c1-9-5-6-20(4)13(11(9)3)8-14(21)15-16(20)18(23)19-12(17(15)22)7-10(2)24-19/h8,10,22-23H,5-7H2,1-4H3/t10-,20-/m0/s1

InChIKey

IQGPVLVWUUPQMQ-FVINQWEUSA-N

Chemical Structure

2D Structure

CAS: 99624-92-7

CID: 442547

Formula: C20H22O4

MW: 326.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.4
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	326.15180918
Monoisotopic Mass	326.15180918
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	648
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
582818	Uncinatone