Cas no 68703-94-6 ((1beta,8xi,11beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (2S)-2-hydroxy-2-methylbutanoate)
68703-94-6 structure
Product Name:(1beta,8xi,11beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (2S)-2-hydroxy-2-methylbutanoate
CAS No:68703-94-6
MF:C25H32O10
MW:492.515588760376
CID:889476
PubChem ID:191882
Update Time:2025-04-19
(1beta,8xi,11beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (2S)-2-hydroxy-2-methylbutanoate Chemical and Physical Properties
Names and Identifiers
-
- (1beta,8xi,11beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (2S)-2-hydroxy-2-methylbutanoate
- Picrasa-3,13[21]-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-
- NSC 279504
- Picrasa-3,13(21)-diene-2,16-dione, 1,11,12-trihydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, (1beta,11beta,12alpha,15beta(S))-
- [(4S,5R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate
- 68703-94-6
- 13,18-Dehydroglaucarubinone
- Glaucarubinone, 13,18-dehydro-
-
- Inchi： 1S/C25H32O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,12,14-18,20,27-28,31-32H,3,6,8-9H2,1-2,4-5H3
- InChI Key： VLFLFYQXNGASKC-UHFFFAOYSA-N
- SMILES： CCC(C(OC1C(=O)OC2C34C1C(C(C(C3C1(C(C2)C(C)=CC(=O)C1O)C)(OC4)O)O)=C)=O)(O)C
Computed Properties
- Exact Mass: 492.20000
- Monoisotopic Mass: 492.19954721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 35
- Rotatable Bond Count: 4
- Complexity: 1070
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.6
- Topological Polar Surface Area: 160?2
Experimental Properties
- Color/Form: Powder
- PSA: 159.82000
- LogP: -0.23100
(1beta,8xi,11beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (2S)-2-hydroxy-2-methylbutanoate Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
68703-94-6 ((1beta,8xi,11beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (2S)-2-hydroxy-2-methylbutanoate) Related Products
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