Cas no 561-98-8 (3,26-dihydroxy-16,23-cyclocholesta-5,16(23)-dien-22-one)
561-98-8 structure
Product Name:3,26-dihydroxy-16,23-cyclocholesta-5,16(23)-dien-22-one
3,26-dihydroxy-16,23-cyclocholesta-5,16(23)-dien-22-one Chemical and Physical Properties
Names and Identifiers
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- 3,26-dihydroxy-16,23-cyclocholesta-5,16(23)-dien-22-one
- 3β,26-Dihydroxy-16,23-cyclocholesta-5,16(23)-dien-22-one
- Fesogenin
- DTXSID50329137
- NSC-94760
- 561-98-8
- 2-Hydroxy-9-(3-hydroxy-2-methylpropyl)-4a,6a,7-trimethyl-2,3,4,4a,4b,5,6,6a,6b,7,10,10a,10b,11-tetradecahydropentaleno[2,1-a]phenanthren-8(1H)-one #
- CGZZUMJKIYSDPE-UHFFFAOYSA-N
- NSC94760
- 16,23-Cyclocholesta-5,16(23)-dien-22-one, 3,26-dihydroxy-, (3.beta.)-
- 16,16(23)-dien-22-one, 3,26-dihydroxy-, (3.beta.)-
- 2-Hydroxy-9-(3-hydroxy-2-methylpropyl)-4a,6a,7-trimethyl-2,3,4,4a,4b,5,6,6a,6b,7,10,10a,10b,11-tetradecahydropentaleno[2,1-a]phenanthren-8(1H)-one
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- Inchi： 1S/C27H40O3/c1-15(14-28)11-21-20-13-23-19-6-5-17-12-18(29)7-9-26(17,3)22(19)8-10-27(23,4)24(20)16(2)25(21)30/h5,15-16,18-19,22-24,28-29H,6-14H2,1-4H3
- InChI Key： CGZZUMJKIYSDPE-UHFFFAOYSA-N
- SMILES： O=C1C(CC(C)CO)=C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)O
Computed Properties
- Exact Mass: 412.298
- Monoisotopic Mass: 412.298
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 3
- Complexity: 809
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Density: 1.14
- Boiling Point: 573.8°C at 760 mmHg
- Flash Point: 314.8°C
- Refractive Index: 1.575
- PSA: 57.53000
- LogP: 5.07010
3,26-dihydroxy-16,23-cyclocholesta-5,16(23)-dien-22-one Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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