Cas no 110369-52-3 (22(S),23(S)-HOMOBRASSINOLIDE)
22(S),23(S)-HOMOBRASSINOLIDE structure
Product Name:22(S),23(S)-HOMOBRASSINOLIDE
CAS No:110369-52-3
MF:C29H50O6
MW:494.703710079193
CID:128798
PubChem ID:24721249
Update Time:2025-04-18
22(S),23(S)-HOMOBRASSINOLIDE Chemical and Physical Properties
Names and Identifiers
-
- 22(S),23(S)-HOMOBRASSINOLIDE
- 23(s)-homobrassinolide
- (2R,4R,5S,16S)-15-[(2S,3S,4S,5R)-5-Ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
- 110369-52-3
- (5S,6R,7aR,9aS)-10-((2S,3S,4S,5R)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-5,6-dihydroxy-7a,9a-dimethyltetradecahydro-1H-benzo[e]indeno[4,5-c]oxepin-3(12bH)-one
- 22S,23S-Homobrassinolide
-
- Inchi： 1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3/t16-,17+,18?,19?,20?,21?,22?,23-,24+,25-,26-,28+,29+/m0/s1
- InChI Key： HJIKODJJEORHMZ-MWVCNTFMSA-N
- SMILES： O1C(C2C[C@@H]([C@@H](C[C@]2(C)C2CC[C@]3(C)C([C@H](C)[C@@H]([C@H]([C@H](CC)C(C)C)O)O)CCC3C2C1)O)O)=O
Computed Properties
- Exact Mass: 494.36073931 g/mol
- Monoisotopic Mass: 494.36073931 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 35
- Rotatable Bond Count: 6
- Complexity: 770
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 494.7
- XLogP3: 5.2
- Topological Polar Surface Area: 107?2
Experimental Properties
- PSA: 107.22000
- LogP: 3.78010
22(S),23(S)-HOMOBRASSINOLIDE Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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
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