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24-Epicastasterone

CAT: 0931-T78480-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T78480-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72050-71-6
Target
Others
Related Pathways
Others
Bioactivity
24-Epicastasterone (24-epi-Castasterone), a naturally occurring brassinosteroid, can be isolated from Hydrodictyon reticulatum [1].
Smiles
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H]([C@H]([C@@H]([C@@H](C(C)C)C)O)O)C)(CC4)[H])[H])(CC(=O)[C@]1(C[C@H](O)[C@H](O)C2)[H])[H])[H]
Molecular Formula
C28H48O5
Molecular Weight
464.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

24-Epicastasterone

24-epi-castasterone is a brassinosteroid that is the C-24 epimer of castasterone.

CAS Number72050-71-6
PubChem CID11812633
IUPAC Name(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Molecular FormulaC28H48O5
Molecular Weight464.7
XLogP4.7
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity738
SMILES
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O
InChI
InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,23+,24-,25-,26-,27-,28-/m1/s1
InChIKey
VYUIKSFYFRVQLF-QONPFPPSSA-N
Chemical Structure
2D Structure
2D structure of 24-Epicastasterone
CAS: 72050-71-6
CID: 11812633
Formula: C28H48O5
MW: 464.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.7
XLogP34.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass464.35017463
Monoisotopic Mass464.35017463
Topological Polar Surface Area98 Ų
Heavy Atom Count33
Formal Charge0
Complexity738
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

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