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2,4-Brassinolide Storage Solution (Sterile)

CAT: 1489-B3520Size: 10 mLDry Ice: NoHazardous: No
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CAT#:1489-B3520Size:10 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
78821-43-9

Chemical Information

24-Epibrassinolide

24-epi-brassinolide is a brassinosteroid, a 3alpha-hydroxy steroid, a 2alpha-hydroxy steroid, a 22-hydroxy steroid and a 23-hydroxy steroid.

CAS Number78821-43-9
PubChem CID443055
IUPAC Name(1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
Molecular FormulaC28H48O6
Molecular Weight480.7
XLogP4.8
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity755
SMILES
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=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/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1
InChIKey
IXVMHGVQKLDRKH-QHBHMFGVSA-N
Chemical Structure
2D Structure
2D structure of 24-Epibrassinolide
CAS: 78821-43-9
CID: 443055
Formula: C28H48O6
MW: 480.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.7
XLogP34.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass480.34508925
Monoisotopic Mass480.34508925
Topological Polar Surface Area107 Ų
Heavy Atom Count34
Formal Charge0
Complexity755
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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