Prednival

CAT: 0931-T34127-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T34127-02Size:50 mg

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

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CAS Number

15180-00-4

Target

Others

Related Pathways

Others

Bioactivity

Prednival is a biochemical.

Smiles

O(C(CCCC)=O)[C@@]1(C(CO)=O)[C@]2(C)[C@@](CC1)([C@]3([C@]([C@@H](O)C2)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])[H]

Molecular Formula

C26H36O6

Molecular Weight

444.56

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Prednival

Prednival is a 21-hydroxy steroid.

CAS Number	15180-00-4
PubChem CID	9824723
IUPAC Name	[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentanoate
Molecular Formula	C26H36O6
Molecular Weight	444.6
XLogP	4
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	32
Formal Charge	0
Complexity	874

SMILES

CCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)CO

InChI

InChI=1S/C26H36O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h9,11,13,18-20,23,27,29H,4-8,10,12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1

InChIKey

BOFKYYWJAOZDPB-FZNHGJLXSA-N

Chemical Structure

2D Structure

CAS: 15180-00-4

CID: 9824723

Formula: C26H36O6

MW: 444.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	444.6
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	444.25118886
Monoisotopic Mass	444.25118886
Topological Polar Surface Area	101 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	874
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TRC-P703918-100MG	Prednival

Prednival

Chemical Information

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