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Ponasterone A

CAT: 0926-FP158558-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FP158558-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13408-56-5
MDL Number
MFCD00272144
Smiles
CC (C) CC[C@H] ([C@@] (C) ([C@H]1CC[C@@]2 ([C@@]1 (CC[C@H]3C2=CC (=O) [C@H]4[C@@]3 (C[C@@H] ([C@@H] (C4) O) O) C) C) O) O) O
Molecular Formula
C27H44O6
Molecular Weight
464.63 g/mol
Controlled
No

Chemical Information

Ponasterone A

Ponasterone A is a phytoecdysteroid, a 3beta-hydroxy steroid, a 20-hydroxy steroid, a 2beta-hydroxy steroid, a 14alpha-hydroxy steroid, a 22-hydroxy steroid and a 6-oxo steroid.

CAS Number13408-56-5
PubChem CID115127
IUPAC Name(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Molecular FormulaC27H44O6
Molecular Weight464.6
XLogP1.9
Topological Polar Surface Area118
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity823
SMILES
CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O
InChI
InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
InChIKey
PJYYBCXMCWDUAZ-JJJZTNILSA-N
Chemical Structure
2D Structure
2D structure of Ponasterone A
CAS: 13408-56-5
CID: 115127
Formula: C27H44O6
MW: 464.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.6
XLogP31.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass464.31378912
Monoisotopic Mass464.31378912
Topological Polar Surface Area118 Ų
Heavy Atom Count33
Formal Charge0
Complexity823
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
573596Ponasterone A
TBI1404-5MGPonasterone A, Inducer of ecdysone-inducible mammalian expression systems

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