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BE-26263

CAT: 0013-GTR19232414-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232414-01Size:10 mg
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Description
BE-26263 is a small molecule isolated from the fungus Scedosporium apiospermum. It demonstrates estrogenic activity and has been investigated as a potential antiosteoporotic agent in research settings, including studies on bone metabolism.
CAS Number
147716-81-2
Field of Research
Metabolism Research
Smiles
OC1=C2C (=CC (O) =C1) CC (C) OC (=O) CC (C) OC (=O) CC (C) OC (=O) C=3C (CC (C) OC (=O) CC (C) OC2=O) =CC (O) =CC3O
Molecular Formula
C32H38O14
Molecular Weight
646.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

12,14,30,32-Tetrahydroxy-4,8,18,22,26-pentamethyl-3,7,17,21,25-pentaoxatricyclo[26.4.0.010,15]dotriaconta-1(28),10(15),11,13,29,31-hexaene-2,6,16,20,24-pentone

12,14,30,32-Tetrahydroxy-4,8,18,22,26-pentamethyl-3,7,17,21,25-pentaoxatricyclo[26.4.0.010,15]dotriaconta-1(28),10(15),11,13,29,31-hexaene-2,6,16,20,24-pentone has been reported in Albatrellopsis confluens and Albatrellus confluens with data available.

CAS Number147716-81-2
PubChem CID9852477
IUPAC Name12,14,30,32-tetrahydroxy-4,8,18,22,26-pentamethyl-3,7,17,21,25-pentaoxatricyclo[26.4.0.010,15]dotriaconta-1(28),10(15),11,13,29,31-hexaene-2,6,16,20,24-pentone
Molecular FormulaC32H38O14
Molecular Weight646.6
XLogP4.9
Topological Polar Surface Area212
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count0
Heavy Atom Count46
Formal Charge0
Complexity1080
SMILES
CC1CC2=C(C(=CC(=C2)O)O)C(=O)OC(CC(=O)OC(CC3=C(C(=CC(=C3)O)O)C(=O)OC(CC(=O)OC(CC(=O)O1)C)C)C)C
InChI
InChI=1S/C32H38O14/c1-15-6-20-11-22(33)13-24(35)29(20)31(40)45-18(4)9-27(38)43-16(2)7-21-12-23(34)14-25(36)30(21)32(41)46-19(5)10-28(39)44-17(3)8-26(37)42-15/h11-19,33-36H,6-10H2,1-5H3
InChIKey
ZIOHDYUFQITWAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 12,14,30,32-Tetrahydroxy-4,8,18,22,26-pentamethyl-3,7,17,21,25-pentaoxatricyclo[26.4.0.010,15]dotriaconta-1(28),10(15),11,13,29,31-hexaene-2,6,16,20,24-pentone
CAS: 147716-81-2
CID: 9852477
Formula: C32H38O14
MW: 646.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight646.6
XLogP34.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count0
Exact Mass646.22615588
Monoisotopic Mass646.22615588
Topological Polar Surface Area212 Ų
Heavy Atom Count46
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes