Cas no 85889-27-6 ((3beta)-23,28-dihydroxy-28-oxoolean-12-en-3-yl beta-D-glucopyranosiduronic acid)
85889-27-6 structure
Product Name:(3beta)-23,28-dihydroxy-28-oxoolean-12-en-3-yl beta-D-glucopyranosiduronic acid
CAS No:85889-27-6
MF:C36H56O10
MW:648.823852539063
CID:1846800
PubChem ID:158891
Update Time:2025-04-21
(3beta)-23,28-dihydroxy-28-oxoolean-12-en-3-yl beta-D-glucopyranosiduronic acid Chemical and Physical Properties
Names and Identifiers
-
- (3beta)-23,28-dihydroxy-28-oxoolean-12-en-3-yl beta-D-glucopyranosiduronic acid
- (+)-Caryocaroside II-5
- (+)-Copteroside B
- Copteroside B
- beta-D-Glucopyranosiduronic acid, (3beta,4alpha)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl
- 23,28-Dihydroxy-28-oxoolean-12-en-3-yl hexopyranosiduronic acid
- 85889-27-6
- DTXSID301006454
-
- Inchi： 1S/C36H56O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,20-27,29,37-40H,8-18H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1
- InChI Key： DYFUVQSGLMQLRX-ALBXZGMBSA-N
- SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CCC(C)(C)C[C@H]5C4=CC[C@@H]32)[C@]1(C)CO
Computed Properties
- Exact Mass: 648.38734798g/mol
- Monoisotopic Mass: 648.38734798g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 46
- Rotatable Bond Count: 5
- Complexity: 1280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 14
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 174?2
(3beta)-23,28-dihydroxy-28-oxoolean-12-en-3-yl beta-D-glucopyranosiduronic acid Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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