Cas no 6550-86-3 (Gibb-3-ene-1,10-dicarboxylicacid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-(2-butoxyethyl)ester, (1a,2b,4aa,4bb,10b)- (9CI))
6550-86-3 structure
Product Name:Gibb-3-ene-1,10-dicarboxylicacid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-(2-butoxyethyl)ester, (1a,2b,4aa,4bb,10b)- (9CI)
CAS No:6550-86-3
MF:C25H34O7
MW:446.533268451691
CID:526968
PubChem ID:86278162
Update Time:2025-04-19
Gibb-3-ene-1,10-dicarboxylicacid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-(2-butoxyethyl)ester, (1a,2b,4aa,4bb,10b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Gibb-3-ene-1,10-dicarboxylicacid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-(2-butoxyethyl)ester, (1a,2b,4aa,4bb,10b)- (9CI)
- Ethanol, 2-butoxy-, gibberellate (8CI)
- Gibberellicacid, 2-butoxyethyl ester (7CI,8CI)
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- Inchi： 1S/C25H34O7/c1-4-5-10-30-11-12-31-20(27)18-19-22(3)17(26)7-9-25(19,32-21(22)28)16-6-8-24(29)14-23(16,18)13-15(24)2/h7,9,16-19,26,29H,2,4-6,8,10-14H2,1,3H3/t16-,17+,18-,19-,22-,23+,24+,25-/m1/s1
- InChI Key： QOSIZXQHBCJMHY-UTLASXDASA-N
- SMILES： O1C([C@]2(C)[C@H](C=C[C@]31[C@@H]2[C@H](C(=O)OCCOCCCC)[C@]12CC(=C)[C@](CC[C@H]13)(C2)O)O)=O
Computed Properties
- Exact Mass: 446.23045342g/mol
- Monoisotopic Mass: 446.23045342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 32
- Rotatable Bond Count: 8
- Complexity: 882
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 102?2
Gibb-3-ene-1,10-dicarboxylicacid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-(2-butoxyethyl)ester, (1a,2b,4aa,4bb,10b)- (9CI) Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
6550-86-3 (Gibb-3-ene-1,10-dicarboxylicacid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-(2-butoxyethyl)ester, (1a,2b,4aa,4bb,10b)- (9CI)) Related Products
- 510-75-8(Gibberellin A7)
- 561-56-8(GIBBERELLIN A5)
- 125-67-7(Potassium gibberellate)
- 139713-81-8(Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-ylester, (2R,3S)-)
- 545-97-1(gibberellin A1)
- 77-06-5(Gibberellic acid)
- 105593-18-8(15b-OH Gibberellin A3)
- 78259-50-4(Gibberellin A95)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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