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Alisol A 23-acetate

CAT: 0013-GTR19179470Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179470Size:5 mg
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Description
Alisol A 23-acetate is a research compound that modulates androgen, progesterone, and glucocorticoid receptor pathways. It is used in biochemical and pharmacological studies to investigate steroid hormone signaling in both cellular and animal models of endocrine function and related diseases.
CAS Number
19865-75-9
Smiles
[H][C@@]12CC[C@@]3 (C) [C@@] ([H]) ([C@@H] (O) CC4=C (CC[C@]34C) [C@H] (C) C[C@H] (OC (C) =O) [C@@H] (O) C (C) (C) O) [C@@]1 (C) CCC (=O) C2 (C) C |t:11|
Molecular Formula
C32H52O6
Molecular Weight
532.762
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Alisol A 23-acetate
CAS Number19865-75-9
PubChem CID70690607
IUPAC Name[(3R,4S,6R)-2,3-dihydroxy-6-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptan-4-yl] acetate
Molecular FormulaC32H52O6
Molecular Weight532.8
XLogP4.4
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity1010
SMILES
C[C@H](C[C@@H]([C@H](C(C)(C)O)O)OC(=O)C)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O
InChI
InChI=1S/C32H52O6/c1-18(16-23(38-19(2)33)27(36)29(5,6)37)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34,36-37H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1
InChIKey
KRZLECBBHPYBFK-JSWHPQHOSA-N
Chemical Structure
2D Structure
2D structure of Alisol A 23-acetate
CAS: 19865-75-9
CID: 70690607
Formula: C32H52O6
MW: 532.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.8
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass532.37638937
Monoisotopic Mass532.37638937
Topological Polar Surface Area104 Ų
Heavy Atom Count38
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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