Epibrassinolide - Moligand™, ≥85% , CAS No.78821-43-9

CAS: 78821-43-9 Cat. No.: E128317 Molecular Weight: 480.68 EC Number: 639-387-1

GRADE & PURITY Moligand™, ≥85%

Synonyms

MFCD00133310 | BP55 | Epibrassinolide, >=85% | 6H-BENZ(C)INDENO(5,4-E)OXEPIN-6-ONE, 1-(2,3-DIHYDROXY-1,4,5-TRIMETHYLHEXYL)HEXADECAHYDRO-8,9-DIHYDROXY-10A,12A-DIMETHYL-, (1R-(1.ALPHA.(1S*,2R*,3R*,4R*),3A.BETA.,3B.ALPHA.,6A.BETA.,8.BETA.,9.BETA.,10A.ALPHA.,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

MFCD00133310 | BP55 | Epibrassinolide, >=85% | 6H-BENZ(C)INDENO(5, 4-E)OXEPIN-6-ONE, 1-(2, 3-DIHYDROXY-1, 4, 5-TRIMETHYLHEXYL)HEXADECAHYDRO-8, 9-DIHYDROXY-10A, 12A-DIMETHYL-, (1R-(1.ALPHA.(1S*, 2R*, 3R*, 4R*), 3A.BETA., 3B.ALPHA., 6A.BETA., 8.BETA., 9.BETA., 10A.ALPHA.,

Specifications & Purity

Moligand™, ≥85%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥85%

Names and Identifiers

• Pubchem Sid: 504758791
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758791
• Canonical Smiles: CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O
• 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
• InChIKey: IXVMHGVQKLDRKH-QHBHMFGVSA-N
• 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
• Isomeric 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
• WGK Germany: 3
• Alternate CAS: 72962-43-7
• Molecular Weight: 480.68
• Reaxy-Rn: 61193796
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=61193796&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Steroid lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Steroid lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Brassinolides and derivatives
• Alternative Parents: Oxepanes Secondary alcohols Lactones Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Brassinolide-skeleton - Caprolactone - Oxepane - Cyclic alcohol - Carboxylic acid ester - Lactone - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as brassinolides and derivatives. These are cholestane based steroid lactones containing benzo[c]indeno[5,4-e]oxepin-3-one.
• External Descriptors: Brassinolides and derivatives

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

L6 (7924 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 480.700 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 480.345 Da
• Monoisotopic Mass: 480.345 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 755.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 13
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Basit Farwa, Liu Jiaxin, An Jianyu, Chen Min, He Can, Zhu Xiaobo, Li Zhan, Hu Jin, Guan Yajing.  (2021)  Seed priming with brassinosteroids alleviates aluminum toxicity in rice via improving antioxidant defense system and suppressing aluminum uptake.  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,  29  (7): (10183-10197).  [PMID:34515933] [10.1007/s11356-021-16209-y]

2. Abdul Salam, Jinzhe Chang, Liupeng Yang, Muhammad Zeeshan, Anas Iqbal, Ali Raza Khan, Muhammad Siddique Afridi, Zaid Ulhassan, Wardah Azhar, Zhixiang Zhang, Peiwen Zhang.  (2025)  Brassinosteroid-Mediated Resistance to Cobalt-Induced Toxicity by Regulating Hormonal Balance, Cellular Metabolism, and Antioxidant Defense in Maize.  Plants-Basel,  14  (13): (2076).  [PMID:40648085] [10.3390/plants14132076]