Cas no 167173-81-1 (Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3-hydroxy-5-[[(3R,5R)-5-hydroxy-3-(b-D-mannopyranosyloxy)-1-oxodecyl]oxy]-1-oxodecyl]oxy]-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI))
![Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3-hydroxy-5-[[(3R,5R)-5-hydroxy-3-(b-D-mannopyranosyloxy)-1-oxodecyl]oxy]-1-oxodecyl]oxy]-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI) structure](https://ossimg.kuujia.com/scimg/167500/167173-81-1x500.png)
167173-81-1 structure
Product Name:Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3-hydroxy-5-[[(3R,5R)-5-hydroxy-3-(b-D-mannopyranosyloxy)-1-oxodecyl]oxy]-1-oxodecyl]oxy]-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI)
CAS No:167173-81-1
MF:C48H86O19
MW:967.185058116913
CID:163310
Update Time:2024-03-01
Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3-hydroxy-5-[[(3R,5R)-5-hydroxy-3-(b-D-mannopyranosyloxy)-1-oxodecyl]oxy]-1-oxodecyl]oxy]-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3-hydroxy-5-[[(3R,5R)-5-hydroxy-3-(b-D-mannopyranosyloxy)-1-oxodecyl]oxy]-1-oxodecyl]
- Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3-hydroxy-5-[[(3R,5R)-5-hydroxy-3-(b-D-mannopyranosyloxy)-1-oxodecyl]oxy]-1-oxodecyl]oxy]-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI)
- Decanoicacid, 3-(acetyloxy)-5-[[3-hydroxy-5-[[5-hydroxy-3-(b-D-mannopyranosyloxy)-1-oxodecyl]oxy]-1-oxodecyl]oxy]-,1-(3-carboxy-2-hydroxypropyl)hexyl ester,[3R-[1[R*(R*)],3R*,5R*[3R*,5R*(3R*,5R*)]]]-
- Halymecin B
- Decanoic acid, 3-(acetyloxy)-5-[[(3R,5R)-3-hydroxy-5-[[(3R,5R)-5-hydroxy-3-(β-D-mannopyranosyloxy)-1-oxodecyl]oxy]-1-oxodecyl]oxy]-, (1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI)
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- Inchi： 1S/C48H86O19/c1-6-10-14-18-32(51)22-38(66-48-47(61)46(60)45(59)40(30-49)67-48)28-43(57)64-36(20-16-12-8-3)24-34(53)26-42(56)65-37(21-17-13-9-4)27-39(62-31(5)50)29-44(58)63-35(19-15-11-7-2)23-33(52)25-41(54)55/h32-40,45-49,51-53,59-61H,6-30H2,1-5H3,(H,54,55)
- InChI Key： NOMDKESBADZKCR-UHFFFAOYSA-N
- SMILES： O(C1C(C(O)C(O)C(CO)O1)O)C(CC(O)CCCCC)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(OC(=O)C)CC(=O)OC(CCCCC)CC(O)CC(=O)O
Computed Properties
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 19
- Heavy Atom Count: 67
- XLogP3: 7.1
Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3-hydroxy-5-[[(3R,5R)-5-hydroxy-3-(b-D-mannopyranosyloxy)-1-oxodecyl]oxy]-1-oxodecyl]oxy]-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI) 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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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
167173-81-1 (Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3-hydroxy-5-[[(3R,5R)-5-hydroxy-3-(b-D-mannopyranosyloxy)-1-oxodecyl]oxy]-1-oxodecyl]oxy]-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI)) Related Products
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