Cas no 59132-33-1 ((5alpha,6alpha,7alpha,22S)-5,17-dihydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione)
59132-33-1 structure
Product Name:(5alpha,6alpha,7alpha,22S)-5,17-dihydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione
CAS No:59132-33-1
MF:C28H36O7
MW:484.581249237061
CID:1613748
PubChem ID:173667
Update Time:2025-04-21
(5alpha,6alpha,7alpha,22S)-5,17-dihydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione Chemical and Physical Properties
Names and Identifiers
-
- (5alpha,6alpha,7alpha,22S)-5,17-dihydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione
- BRN 1611815
- DTXSID60974571
- 59132-33-1
- 5,17-Dihydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione
- 12-Oxodaturalactone
- Ergosta-2,24-dien-26-oic acid, 6,7-epoxy-1,12-dioxo-5,17,22-trihydroxy-, delta-lactone, (5-alpha,6-alpha,7-alpha,12-alpha,22S)-
- 12-Oxydaturalactone
-
- Inchi： 1S/C28H36O7/c1-13-11-18(34-24(31)14(13)2)15(3)27(32)10-8-16-21-17(12-20(30)25(16,27)4)26(5)19(29)7-6-9-28(26,33)23-22(21)35-23/h6-7,15-18,21-23,32-33H,8-12H2,1-5H3/t15-,16+,17+,18+,21+,22+,23+,25-,26+,27+,28+/m1/s1
- InChI Key： DASIIWZHZVHTSC-NAPILNLDSA-N
- SMILES： O1[C@@H]2[C@]3(CC=CC([C@]3(C)[C@H]3CC([C@]4(C)[C@@]([C@H](C)[C@@H]5CC(C)=C(C)C(=O)O5)(CC[C@H]4[C@@H]3[C@H]12)O)=O)=O)O
Computed Properties
- Exact Mass: 484.246104
- Monoisotopic Mass: 484.246104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 35
- Rotatable Bond Count: 2
- Complexity: 1110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 113
- XLogP3: 1.6
Experimental Properties
- Density: 1.313
- Boiling Point: 690.8°C at 760 mmHg
- Flash Point: 230.2°C
- Refractive Index: 1.595
(5alpha,6alpha,7alpha,22S)-5,17-dihydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Withanolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Withanolides and derivatives
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