Cas no 134418-29-4 ((2R,5S,6S,10R,12E)-17-[(3-carboxypropanoyl)oxy]-2-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloretinal - (2R,5S,6S,10R,12E)-2-[(3-carboxypropanoyl)oxy]-17-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloret)
![(2R,5S,6S,10R,12E)-17-[(3-carboxypropanoyl)oxy]-2-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloretinal - (2R,5S,6S,10R,12E)-2-[(3-carboxypropanoyl)oxy]-17-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloret structure](https://ossimg.kuujia.com/scimg/134500/134418-29-4x500.png)
134418-29-4 structure
Product Name:(2R,5S,6S,10R,12E)-17-[(3-carboxypropanoyl)oxy]-2-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloretinal - (2R,5S,6S,10R,12E)-2-[(3-carboxypropanoyl)oxy]-17-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloret
CAS No:134418-29-4
MF:C48H64O14
MW:865.013376235962
CID:1243111
PubChem ID:6450978
Update Time:2025-04-20
(2R,5S,6S,10R,12E)-17-[(3-carboxypropanoyl)oxy]-2-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloretinal - (2R,5S,6S,10R,12E)-2-[(3-carboxypropanoyl)oxy]-17-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloret Chemical and Physical Properties
Names and Identifiers
-
- (2R,5S,6S,10R,12E)-17-[(3-carboxypropanoyl)oxy]-2-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloretinal - (2R,5S,6S,10R,12E)-2-[(3-carboxypropanoyl)oxy]-17-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloret
- (2R,5S,6S,10R,12E)-17-[(3-carboxypropanoyl)oxy]-2-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloretinal - (2R,5S,6S,10R,12E)-2-[(3-carboxypropanoyl)oxy]-17-hydroxy-20-oxo-9,19
- 4-[[(1R,2R,4aS,5R,8aS)-2-hydroxy-1,4a-dimethyl-6-methylidene-5-[(2E)-2-(2-oxofuran-3-ylidene)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoic acid,4-[[(1R,2R,4aS,5R,8aS)-1-(hydr
- 134418-29-4
- 4-[[(1R,2R,4aS,5R,8aS)-2-hydroxy-1,4a-dimethyl-6-methylene-5-[(2E)-2-(2-oxo-3-furylidene)ethyl]decalin-1-yl]methoxy]-4-oxo-butanoic acid; 4-[(1R,2R,4aS,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylene-5-[(2E)-2-(2-oxo-3-furylidene)ethyl]decalin-2-yl]oxy-4-oxo-butanoic acid
- Dehydroandrographolide succinic acid ester
- Butanedioic acid, monoester with (1R-(1alpha,2alpha,4aalpha,5beta(E),8abeta))-3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)-2(3H)-furanone
- DASM
- Butanedioic acid, monoester with [1R-[1.alpha.,2.alpha.,4a.alpha.,5.beta.(E),8a.beta.]]-3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]-2(3H)-furanone
-
- Inchi： 1S/2C24H32O7/c1-15-4-7-18-23(2,17(15)6-5-16-11-13-30-22(16)29)12-10-19(25)24(18,3)14-31-21(28)9-8-20(26)27;1-15-4-7-18-23(2,17(15)6-5-16-11-13-30-22(16)29)12-10-19(24(18,3)14-25)31-21(28)9-8-20(26)27/h2*5,11,13,17-19,25H,1,4,6-10,12,14H2,2-3H3,(H,26,27)/b2*16-5+/t2*17-,18+,19-,23+,24+/m11/s1
- InChI Key： XKBVRUZEZCXYTN-RXHKLUBKSA-N
- SMILES： O(C(CCC(=O)O)=O)[C@@H]1CC[C@@]2(C)[C@H](C/C=C3/C(=O)OC=C/3)C(=C)CC[C@@H]2[C@]1(C)CO.O[C@@H]1CC[C@@]2(C)[C@H](C/C=C3/C(=O)OC=C/3)C(=C)CC[C@@H]2[C@]1(C)COC(CCC(=O)O)=O
Computed Properties
- Exact Mass: 864.42960671g/mol
- Monoisotopic Mass: 864.42960671g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 62
- Rotatable Bond Count: 16
- Complexity: 1650
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 220?2
(2R,5S,6S,10R,12E)-17-[(3-carboxypropanoyl)oxy]-2-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloretinal - (2R,5S,6S,10R,12E)-2-[(3-carboxypropanoyl)oxy]-17-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloret Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
134418-29-4 ((2R,5S,6S,10R,12E)-17-[(3-carboxypropanoyl)oxy]-2-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloretinal - (2R,5S,6S,10R,12E)-2-[(3-carboxypropanoyl)oxy]-17-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloret) Related Products
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