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Cyasterone

CAT: 0926-FC73938-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FC73938-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17086-76-9
MDL Number
MFCD01683622
Smiles
O[C@] ([C@@] (CC4) (C) [C@H]1[C@@] (C) (O) C[C@@H] (O) [C@] ([C@@H] (C) O5) ([H]) [C@H] (C) C5=O) (CC1) C ([C@@]4 ([H]) [C@]3 (C) [C@] ([H]) 2C[C@@H] (O) [C@@H] (O) C3) =CC2=O
Molecular Formula
C29H44O8
Molecular Weight
520.65 g/mol
Controlled
No

Chemical Information

Cyasterone

Cyasterone is a phytoecdysteroid, a steroid lactone, a 21-hydroxy steroid, a 3beta-hydroxy steroid, a 20-hydroxy steroid, a 2beta-hydroxy steroid, a 14alpha-hydroxy steroid and a 6-oxo steroid.

CAS Number17086-76-9
PubChem CID119444
IUPAC Name(3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one
Molecular FormulaC29H44O8
Molecular Weight520.7
XLogP1
Topological Polar Surface Area145
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity1010
SMILES
C[C@H]1[C@@H]([C@H](OC1=O)C)C[C@H]([C@@](C)([C@H]2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O)O
InChI
InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1
InChIKey
NEFYSBQJYCICOG-YSEUJXISSA-N
Chemical Structure
2D Structure
2D structure of Cyasterone
CAS: 17086-76-9
CID: 119444
Formula: C29H44O8
MW: 520.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.7
XLogP31
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass520.30361836
Monoisotopic Mass520.30361836
Topological Polar Surface Area145 Ų
Heavy Atom Count37
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TB0708-0100Cyasterone
A22387-50Cyasterone 50mg
A22387-1Cyasterone 1mg
HY-N0211R-01Cyasterone (Standard)

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