Caloxanthone B

CAT: 0926-FGA23317-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-FGA23317-02Size:10 mg

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CAS Number

155233-17-3

Smiles

CC1C (C2=C (O1) C=C (C3=C2OC4=C (C3=O) C (=CC (=C4OC) O) CC=C (C) C) O) (C) C

Molecular Formula

C24H26O6

Molecular Weight

410.5 g/mol

Controlled

Chemical Information

Npc310735

Caloxanthone B has been reported in Calophyllum and Calophyllum inophyllum with data available.

CAS Number	155233-17-3
PubChem CID	102066908
IUPAC Name	5,9-dihydroxy-10-methoxy-1,1,2-trimethyl-7-(3-methylbut-2-enyl)-2H-furo[2,3-c]xanthen-6-one
Molecular Formula	C24H26O6
Molecular Weight	410.5
XLogP	6
Topological Polar Surface Area	85.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	30
Formal Charge	0
Complexity	698

SMILES

CC1C(C2=C(O1)C=C(C3=C2OC4=C(C3=O)C(=CC(=C4OC)O)CC=C(C)C)O)(C)C

InChI

InChI=1S/C24H26O6/c1-11(2)7-8-13-9-15(26)21(28-6)23-17(13)20(27)18-14(25)10-16-19(22(18)30-23)24(4,5)12(3)29-16/h7,9-10,12,25-26H,8H2,1-6H3

InChIKey

DNRJSJQWXWNVSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 155233-17-3

CID: 102066908

Formula: C24H26O6

MW: 410.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	410.5
XLogP3	6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	410.17293854
Monoisotopic Mass	410.17293854
Topological Polar Surface Area	85.2 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	698
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5788016	Caloxanthone B
HY-N17602	Caloxanthone C