Cudraxanthone B

CAT: 0926-JDA95505-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-JDA95505-01Size:5 mg

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CAS Number

84955-05-5

MDL Number

MFCD20260430

Smiles

CC1 (C=CC2=C (O1) C (=CC3=C2C (=O) C4=C (O3) C (=C (C=C4O) O) C (C) (C) C=C) O) C

Molecular Formula

C23H22O6

Molecular Weight

394.4 g/mol

Controlled

Chemical Information

Cudraxanthone B

6,8,12-trihydroxy-2,2-dimethyl-9-(2-methylbut-3-en-2-yl)-1,10-dioxatetraphen-5-one has been reported in Maclura tricuspidata with data available.

CAS Number	84955-05-5
PubChem CID	91885224
IUPAC Name	5,9,11-trihydroxy-3,3-dimethyl-8-(2-methylbut-3-en-2-yl)pyrano[3,2-a]xanthen-12-one
Molecular Formula	C23H22O6
Molecular Weight	394.4
XLogP	5.3
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	29
Formal Charge	0
Complexity	712

SMILES

CC1(C=CC2=C(O1)C(=CC3=C2C(=O)C4=C(O3)C(=C(C=C4O)O)C(C)(C)C=C)O)C

InChI

InChI=1S/C23H22O6/c1-6-22(2,3)18-13(25)9-12(24)17-19(27)16-11-7-8-23(4,5)29-20(11)14(26)10-15(16)28-21(17)18/h6-10,24-26H,1H2,2-5H3

InChIKey

LGKVKWVNUSOTKD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 84955-05-5

CID: 91885224

Formula: C23H22O6

MW: 394.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	394.4
XLogP3	5.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	394.14163842
Monoisotopic Mass	394.14163842
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	712
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes