Dehydroaustinol

CAT: 0013-GTR19231721-05Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19231721-05Size:5 mg

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Description

Dehydroaustinol (CAS 82893-33-2) is a natural product meroterpenoid used as a biochemical research standard. It has been studied in vitro for its potential antimicrobial and cytotoxic activities, serving as a tool in pharmacological and mycological research.

CAS Number

82893-33-2

Smiles

C[C@H]1OC (=O) [C@]23C (=C) [C@]4 (C) OC (=O) C12O[C@]1 ([C@@H]4O) C (=C) [C@@]2 (CC[C@]31C) C=CC (=O) OC2 (C) C

Molecular Formula

C25H28O8

Molecular Weight

456.491

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(1S,2R,5R,7R,8R,9S,13R)-8-hydroxy-2,6',6',9,13-pentamethyl-6,16-dimethylidenespiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,5'-pyran]-2',11,15-trione

(1S,2R,5R,7R,8R,9S,13R)-8-hydroxy-2,6',6',9,13-pentamethyl-6,16-dimethylidenespiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,5'-pyran]-2',11,15-trione has been reported in Aspergillus ustus with data available.

CAS Number	82893-33-2
PubChem CID	25235987
IUPAC Name	(1S,2R,5R,7R,8R,9S,13R)-8-hydroxy-2,6',6',9,13-pentamethyl-6,16-dimethylidenespiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,5'-pyran]-2',11,15-trione
Molecular Formula	C25H28O8
Molecular Weight	456.5
XLogP	1
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Heavy Atom Count	33
Formal Charge	0
Complexity	1150

SMILES

C[C@@H]1C23C(=O)O[C@@]4([C@H]([C@@]5(O2)C(=C)[C@@]6(CC[C@@]5([C@]3(C4=C)C(=O)O1)C)C=CC(=O)OC6(C)C)O)C

InChI

InChI=1S/C25H28O8/c1-12-21(7)16(27)24-13(2)22(9-8-15(26)31-19(22,4)5)11-10-20(24,6)23(12)17(28)30-14(3)25(23,33-24)18(29)32-21/h8-9,14,16,27H,1-2,10-11H2,3-7H3/t14-,16-,20-,21+,22+,23+,24+,25?/m1/s1

InChIKey

IQBUQLYYAHHCGX-GETWQMLSSA-N

Chemical Structure

2D Structure

CAS: 82893-33-2

CID: 25235987

Formula: C25H28O8

MW: 456.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	456.5
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	456.17841785
Monoisotopic Mass	456.17841785
Topological Polar Surface Area	108 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	1150
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5801928	Dehydroaustinol

Dehydroaustinol

Chemical Information

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