Cas no 595548-87-1 (6,9-Dihydroxy-4,7-megastigmadien-3-one; (6S,7E,9R)-form, 7R,8S-Epoxide)
595548-87-1 structure
Product Name:6,9-Dihydroxy-4,7-megastigmadien-3-one; (6S,7E,9R)-form, 7R,8S-Epoxide
CAS No:595548-87-1
MF:C13H20O4
MW:240.295504570007
CID:6682115
Update Time:2024-03-02
6,9-Dihydroxy-4,7-megastigmadien-3-one; (6S,7E,9R)-form, 7R,8S-Epoxide Chemical and Physical Properties
Names and Identifiers
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- 6,9-Dihydroxy-4,7-megastigmadien-3-one; (6S,7E,9R)-form, 7R,8S-Epoxide
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- Inchi： 1S/C13H20O4/c1-7-5-9(15)6-12(3,4)13(7,16)11-10(17-11)8(2)14/h5,8,10-11,14,16H,6H2,1-4H3
- InChI Key： KHIXUQRXQIFBLI-UHFFFAOYSA-N
- SMILES： CC(C1C(C2(C(C)(C)CC(=O)C=C2C)O)O1)O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- XLogP3: -0.514
6,9-Dihydroxy-4,7-megastigmadien-3-one; (6S,7E,9R)-form, 7R,8S-Epoxide Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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