Cas no 155836-04-7 (Tarasaponin II)
Tarasaponin II structure
Product Name:Tarasaponin II
CAS No:155836-04-7
MF:C47H74O18
MW:927.07967710495
CID:161557
PubChem ID:177968
Update Time:2024-03-01
Tarasaponin II Chemical and Physical Properties
Names and Identifiers
-
- 6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxyoxan-2-
- b-D-Glucopyranosiduronic acid, (3b)-17-carboxy-28-norolean-12-en-3-ylO-b-D-galactopyranosyl-(1®
- Elatoside A
- Tarasaponin II
- Durupcoside B
- beta-D-Glucopyranosiduronic acid, (3beta)-17-carboxy-28-norolean-12-en-3-yl O-beta-D-galactopyranosyl-(1fwdarw3)-O-(beta-D-xylopyranosyl-(1-2))-
- 28-hydroxy-28-oxoolean-12-en-3-yl hexopyranosyl-(1->3)-[pentopyranosyl-(1->2)]hexopyranosiduronic acid
- DTXSID30935295
- 155836-04-7
- CHEBI:172856
- 6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
-
- Inchi： 1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(65-38-31(53)28(50)23(49)20-60-38)34(33(55)35(64-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)
- InChI Key： DPXMETKXNWBGRI-UHFFFAOYSA-N
- SMILES： O(C1C(C(C(C(C(=O)O)O1)O)OC1C(C(C(C(CO)O1)O)O)O)OC1C(C(C(CO1)O)O)O)C1CCC2(C)C(CCC3(C)C4(C)CCC5(C(=O)O)CCC(C)(C)CC5C4=CCC32)C1(C)C
Computed Properties
- Exact Mass: 926.488
- Monoisotopic Mass: 926.488
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 65
- Rotatable Bond Count: 9
- Complexity: 1830
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 22
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 292
- XLogP3: 3
Experimental Properties
- Density: 1.42
- Melting Point: 227-230°C
- Boiling Point: 1019°Cat760mmHg
- Flash Point: 292.1°C
- Refractive Index: 1.622
Tarasaponin II Related Literature
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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