Rubratoxin B

CAT: 0931-T26165-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T26165-02Size:100 mg

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

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CAS Number

21794-01-4

Target

Others, Endogenous Metabolite

Related Pathways

Metabolism, Others

Bioactivity

Rubratoxin B is a mycotoxin that causes hypoglycemia and fatty liver and has exhibited anticancer activity.

Smiles

[H][C@]1(CC=CC(=O)O1)[C@@H](O)[C@]1([H])CC2=C([C@H](O)[C@]([H])([C@H](O)CCCCCC)C3=C(C1)C(=O)OC3=O)C(=O)OC2=O

Molecular Formula

C26H30O11

Molecular Weight

518.51

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Rubratoxin B

Rubratoxin B is a carbonyl compound.

CAS Number	21794-01-4
PubChem CID	11969548
IUPAC Name	(2R,3S,10S)-2-hydroxy-3-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy-[(2S)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
Molecular Formula	C26H30O11
Molecular Weight	518.5
XLogP	2
Topological Polar Surface Area	174
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Heavy Atom Count	37
Formal Charge	0
Complexity	1100

SMILES

CCCCCC[C@H]([C@H]1[C@H](C2=C(C[C@H](CC3=C1C(=O)OC3=O)[C@@H]([C@@H]4CC=CC(=O)O4)O)C(=O)OC2=O)O)O

InChI

InChI=1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3/t12-,15+,16-,20+,21-,22-/m0/s1

InChIKey

ZJTBTDVZNGBSNG-RETZLTROSA-N

Chemical Structure

2D Structure

CAS: 21794-01-4

CID: 11969548

Formula: C26H30O11

MW: 518.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	518.5
XLogP3	2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	518.17881177
Monoisotopic Mass	518.17881177
Topological Polar Surface Area	174 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	1100
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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464883-01	Rubratoxin A
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Rubratoxin B

Chemical Information

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