Cas no 80311-28-0 ((3beta)-3-{[4-O-(beta-D-galactopyranosyl)-beta-D-galactopyranosyl]oxy}-30-methoxy-30-oxoolean-12-en-28-oic acid)
![(3beta)-3-{[4-O-(beta-D-galactopyranosyl)-beta-D-galactopyranosyl]oxy}-30-methoxy-30-oxoolean-12-en-28-oic acid structure](https://ossimg.kuujia.com/scimg/80500/80311-28-0x500.png)
80311-28-0 structure
Product Name:(3beta)-3-{[4-O-(beta-D-galactopyranosyl)-beta-D-galactopyranosyl]oxy}-30-methoxy-30-oxoolean-12-en-28-oic acid
CAS No:80311-28-0
MF:C43H68O15
MW:824.991035461426
CID:1800857
PubChem ID:5087645
Update Time:2024-03-02
(3beta)-3-{[4-O-(beta-D-galactopyranosyl)-beta-D-galactopyranosyl]oxy}-30-methoxy-30-oxoolean-12-en-28-oic acid Chemical and Physical Properties
Names and Identifiers
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- (3beta)-3-{[4-O-(beta-D-galactopyranosyl)-beta-D-galactopyranosyl]oxy}-30-methoxy-30-oxoolean-12-en-28-oic acid
- Yiamoloside B
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- Inchi： 1S/C43H68O15/c1-38(2)25-10-13-42(6)26(9-8-21-22-18-39(3,37(53)54-7)14-16-43(22,36(51)52)17-15-41(21,42)5)40(25,4)12-11-27(38)57-34-32(50)30(48)33(24(20-45)56-34)58-35-31(49)29(47)28(46)23(19-44)55-35/h8,22-35,44-50H,9-20H2,1-7H3,(H,51,52)
- InChI Key： IDTIOCYBMWJUGJ-UHFFFAOYSA-N
- SMILES： O(C1C(C(C(C(CO)O1)OC1C(C(C(C(CO)O1)O)O)O)O)O)C1CCC2(C)C(CCC3(C)C4(C)CCC5(C(=O)O)CCC(C(=O)OC)(C)CC5C4=CCC32)C1(C)C
Computed Properties
- Exact Mass: 824.45582146g/mol
- Monoisotopic Mass: 824.45582146g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 58
- Rotatable Bond Count: 9
- Complexity: 1600
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 19
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 242?2
(3beta)-3-{[4-O-(beta-D-galactopyranosyl)-beta-D-galactopyranosyl]oxy}-30-methoxy-30-oxoolean-12-en-28-oic acid Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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