Cas no 126632-95-9 (1,2,3-Propanetricarboxylicacid,1-[[(1S,4aR,5R,8aS)-5-[[(2S,3R)-2-(carboxymethyl)-3-[[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-4-methoxy-1,4-dioxobutoxy]methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]methoxy]-,1-methyl ester, (1R,2S)- (9CI))
![1,2,3-Propanetricarboxylicacid,1-[[(1S,4aR,5R,8aS)-5-[[(2S,3R)-2-(carboxymethyl)-3-[[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-4-methoxy-1,4-dioxobutoxy]methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]methoxy]-,1-methyl ester, (1R,2S)- (9CI) structure](https://ossimg.kuujia.com/scimg/127000/126632-95-9x500.png)
126632-95-9 structure
Product Name:1,2,3-Propanetricarboxylicacid,1-[[(1S,4aR,5R,8aS)-5-[[(2S,3R)-2-(carboxymethyl)-3-[[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-4-methoxy-1,4-dioxobutoxy]methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]methoxy]-,1-methyl ester, (1R,2S)- (9CI)
CAS No:126632-95-9
MF:C44H66O14
MW:818.986455440521
CID:200378
Update Time:2024-03-01
1,2,3-Propanetricarboxylicacid,1-[[(1S,4aR,5R,8aS)-5-[[(2S,3R)-2-(carboxymethyl)-3-[[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-4-methoxy-1,4-dioxobutoxy]methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]methoxy]-,1-methyl ester, (1R,2S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Propanetricarboxylicacid,1-[[(1S,4aR,5R,8aS)-5-[[(2S,3R)-2-(carboxymethyl)-3-[[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-4-methoxy-1,4-dioxobutoxy]methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]methoxy]-,1-methyl ester, (1R,2S)- (9CI)
- 1,2,3-Propanetricarboxylicacid,1-[[5-[[2-(carboxymethyl)-3-[(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)methoxy]-4-methoxy-1,4-dioxobutoxy]methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]methoxy]-,1-methyl ester, [1S-[1a(1S*,2R*),4ab,5b[2R*,3S*(1R*,4aR*,8aR*)],8aa]]-
- Cryptoporic acid F
- 1,2,3-Propanetricarboxylic acid, 1-[[(1S,4aR,5R,8aS)-5-[[(2S,3R)-2-(carboxymethyl)-3-[[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-4-methoxy-1,4-dioxobutoxy]methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]methoxy]-, 1-methyl ester, (1R,2S)- (9CI)
-
- Inchi： 1S/C44H66O14/c1-25-12-14-31-41(3,4)16-10-18-43(31,6)29(25)22-57-36(40(53)55-9)28(21-34(47)48)38(51)58-24-42(5)17-11-19-44(7)30(26(2)13-15-32(42)44)23-56-35(39(52)54-8)27(37(49)50)20-33(45)46/h27-32,35-36H,1-2,10-24H2,3-9H3,(H,45,46)(H,47,48)(H,49,50)/t27-,28-,29-,30-,31-,32-,35+,36+,42-,43+,44+/m0/s1
- InChI Key： ACYBBNUXUYWVJR-ASCWMMEDSA-N
- SMILES： [C@H](OC[C@@H]1[C@]2(C)[C@]([H])([C@@](COC(=O)[C@@H](CC(O)=O)[C@@H](OC[C@@H]3[C@]4(C)[C@]([H])(C(C)(C)CCC4)CCC3=C)C(OC)=O)(C)CCC2)CCC1=C)(C(OC)=O)[C@@H](C(O)=O)CC(O)=O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 58
- XLogP3: 7.317
1,2,3-Propanetricarboxylicacid,1-[[(1S,4aR,5R,8aS)-5-[[(2S,3R)-2-(carboxymethyl)-3-[[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-4-methoxy-1,4-dioxobutoxy]methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]methoxy]-,1-methyl ester, (1R,2S)- (9CI) Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
126632-95-9 (1,2,3-Propanetricarboxylicacid,1-[[(1S,4aR,5R,8aS)-5-[[(2S,3R)-2-(carboxymethyl)-3-[[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-4-methoxy-1,4-dioxobutoxy]methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]methoxy]-,1-methyl ester, (1R,2S)- (9CI)) Related Products
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