Cas no 93860-61-8 ( )
structure
Product Name:
CAS No:93860-61-8
MF:C28H48O6
MW:480.677129745483
CID:1000254
PubChem ID:3239
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- CHOLESTAN-6-ONE DERIV
- NSC325611
- AKOS030254646
- 24-Epibrassinolide;22(R),23(R)-Brassinolide;Brassin lactone
- AS-76605
- SCHEMBL20561407
- 24-Epibrassinolide
- FT-0650558
- brassinosteroid
- BCP20059
- (2R,4R,5S,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
- CHEMBL1967970
- (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[9.7.0.0^{2,7.0^{12,16]octadecan-8-one
- NSC-325306
- NSC325306
- 15-(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
- 93860-61-8
- (2a,3a,5a,22R,23R,24S)-2,3,22,23-Tetrahydroxy-B-homo-7-oxaergostan-6-one
- FT-0625671
- CHEBI:201452
- NSC-325611
- BCP29597
- DTXSID10860955
- A923556
- 10-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3h-benzo[c]indeno[5,4-e]oxepin-3-one
- (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[9.7.0.0^{2,7.0^{12,16]octadecan-8-one
- 72962-43-7
- Brassinolide?
-
-
- 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
- InChI Key： IXVMHGVQKLDRKH-UHFFFAOYSA-N
- SMILES： O1C(C2CC(C(CC2(C)C2CCC3(C)C(C(C)C(C(C(C)C(C)C)O)O)CCC3C2C1)O)O)=O
Computed Properties
- Exact Mass: 480.34508925g/mol
- Monoisotopic Mass: 480.34508925g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 34
- Rotatable Bond Count: 5
- Complexity: 755
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 13
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 107?2
Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Brassinolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Brassinolides and derivatives
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