Cas no 144071-55-6 (2-deoxybrassinolide)
2-deoxybrassinolide structure
Product Name:2-deoxybrassinolide
CAS No:144071-55-6
MF:C28H48O5
MW:464.677729606628
CID:2028031
PubChem ID:14153905
Update Time:2025-04-21
2-deoxybrassinolide Chemical and Physical Properties
Names and Identifiers
-
- 2-deoxybrassinolide
- DTXSID301099514
- 144071-55-6
- CHEBI:185407
- (3aS,5R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
- (1R,3aS,3bS,6aS,8R,10aR,10bS,12aS)-1-[(1S,2R,3R,4S)-2,3-Dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8-hydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one
- LMST01140003
- (1S,2R,5R,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0(2,7).0(12,16)]octadecan-8-one
- 3alpha,22R,23R-trihydroxy-6,7-seco-5alpha-campestano-6,7-lactone
- 7-oxotyphasterol
- 3,22,23-Trihydroxy-24-methyl-B-homo-7-oxacholestan-6-one
- 15-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-5-hydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
- CHEBI:175661
-
- Inchi: 1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25+,27+,28+/m0/s1
- InChI Key: LLFIMDUWAVPJEJ-AVWWTISCSA-N
- SMILES: O1C([C@H]2C[C@@H](CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O)CC[C@H]3[C@@H]2C1)O)=O
Computed Properties
- Exact Mass: 464.35017463g/mol
- Monoisotopic Mass: 464.35017463g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 33
- Rotatable Bond Count: 5
- Complexity: 723
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 12
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.8
- Topological Polar Surface Area: 87?2
2-deoxybrassinolide Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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