Cas no 102580-63-2 (Acetic acid,2,2'-[(1S,3S,7R,8E,11R,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-ene-5,13-diylidene]bis-,1,1'-dimethyl ester, (25Z,213E)-)
![Acetic acid,2,2'-[(1S,3S,7R,8E,11R,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-ene-5,13-diylidene]bis-,1,1'-dimethyl ester, (25Z,213E)- structure](https://ossimg.kuujia.com/scimg/103000/102580-63-2x500.png)
102580-63-2 structure
Product Name:Acetic acid,2,2'-[(1S,3S,7R,8E,11R,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-ene-5,13-diylidene]bis-,1,1'-dimethyl ester, (25Z,213E)-
CAS No:102580-63-2
MF:C39H58O15
MW:0
CID:207403
Update Time:2024-02-29
Acetic acid,2,2'-[(1S,3S,7R,8E,11R,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-ene-5,13-diylidene]bis-,1,1'-dimethyl ester, (25Z,213E)- Chemical and Physical Properties
Names and Identifiers
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- Acetic acid,2,2'-[(1S,3S,7R,8E,11R,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-ene-5,13-diylidene]bis-,1,1'-dimethyl ester, (25Z,213E)-
- Acetic acid, 2,2-(1S,3S,7R,8E,11R,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15nonacos-8
- Acetic acid,2,2'-[(1S,3S,7R,8E,11R,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-10,10,26,2
- 18,27,28,29-Tetraoxatetracyclo[21.3.1.13,7.111,15]nonacosane, bryostatin 1deriv.
- Aceticacid,2,2'-[(1S,3S,7R,8E,11R,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-ene-5,13-diylidene]bis-,dimethyl ester, (25Z,213E)- (9CI)
- Bryostatin 1,20-de[(1-oxo-2,4-octadienyl)oxy]-
- Bryostatin 11
- 20-De[(1-oxo-2,4-octadienyl)oxy]bryostatin 1
- Acetic acid, 2,2-(1S,3S,7R,8E,11R,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15nonacos-8-ene-5,13-diylidenebis-, dimethyl ester, (25Z,213E)-
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- Inchi： InChI=1S/C39H58O15/c1-22(40)31-18-28-13-25(15-34(44)49-8)20-38(46,53-28)36(3,4)10-9-27-11-24(14-33(43)48-7)12-30(51-27)21-39(47)37(5,6)32(50-23(2)41)19-29(54-39)16-26(42)17-35(45)52-31/h9-10,14-15,22,26-32,40,42,46-47H,11-13,16-21H2,1-8H3/b10-9+,24-14?,25-15?
- InChI Key： JRQFNGIJTPIORD-SYKRYFMSSA-N
- SMILES： OC12OC(CC(CC(OC(CC3CC(=CC(=O)OC)CC(O3)(O)C(C)(C)C=CC3CC(=CC(=O)OC)CC(O3)C1)C(O)C)=O)O)CC(OC(=O)C)C2(C)C |t:27|
Computed Properties
- Exact Mass: 766.377571g/mol
- Monoisotopic Mass: 766.377571g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 54
- Rotatable Bond Count: 7
- Complexity: 1480
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 766.9g/mol
- XLogP3: 2.1
- Topological Polar Surface Area: 214?2
Acetic acid,2,2'-[(1S,3S,7R,8E,11R,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-ene-5,13-diylidene]bis-,1,1'-dimethyl ester, (25Z,213E)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
102580-63-2 (Acetic acid,2,2'-[(1S,3S,7R,8E,11R,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-ene-5,13-diylidene]bis-,1,1'-dimethyl ester, (25Z,213E)-) Related Products
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