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Brassinolide

CAT: 0127-BUP10479-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10479-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72962-43-7
Synonyms
Brassin lactone, 24-Epibrassinolide
MDL Number
MFCD00792745
Purity
=98%
Smiles
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C

Chemical Information

Brassinolide

Brassinolide is a brassinosteroid, a 3alpha-hydroxy steroid, a 2alpha-hydroxy steroid, a 22-hydroxy steroid and a 23-hydroxy steroid. It has a role as a plant growth stimulator and a plant hormone.

CAS Number72962-43-7
PubChem CID115196
IUPAC Name(1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-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+/m0/s1
InChIKey
IXVMHGVQKLDRKH-KNBKMWSGSA-N
Chemical Structure
2D Structure
2D structure of Brassinolide
CAS: 72962-43-7
CID: 115196
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

Alternative Products

CatalogName
TBZ2596Brassinolide

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