Cas no 2113676-62-1 (β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12-bis(acetyloxy)-25-hydroxydammar-20(22)-en-6-yl, 2,3,4,6-tetraacetate)
2113676-62-1 structure
Product Name:β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12-bis(acetyloxy)-25-hydroxydammar-20(22)-en-6-yl, 2,3,4,6-tetraacetate
CAS No:2113676-62-1
MF:C48H74O15
MW:891.092176914215
CID:5616325
Update Time:2024-02-02
β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12-bis(acetyloxy)-25-hydroxydammar-20(22)-en-6-yl, 2,3,4,6-tetraacetate Chemical and Physical Properties
Names and Identifiers
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- β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12-bis(acetyloxy)-25-hydroxydammar-20(22)-en-6-yl, 2,3,4,6-tetraacetate
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- Inchi： 1S/C48H74O15/c1-25(16-15-19-44(8,9)55)32-17-21-47(13)38(32)33(57-27(3)50)22-36-46(12)20-18-37(58-28(4)51)45(10,11)42(46)34(23-48(36,47)14)62-43-41(61-31(7)54)40(60-30(6)53)39(59-29(5)52)35(63-43)24-56-26(2)49/h16,32-43,55H,15,17-24H2,1-14H3/b25-16+/t32-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42?,43-,46-,47-,48-/m1/s1
- InChI Key： IVTHQCDTUMJPTO-MYVZRIFMSA-N
- SMILES： O([C@@H]1C[C@@]2([C@@]([H])([C@]3(C)C1[C@](C)(C)[C@H](OC(C)=O)CC3)C[C@H](OC(C)=O)[C@@]1([H])[C@]2(CC[C@@H]1/C(/C)=C/CCC(O)(C)C)C)C)[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
Experimental Properties
- Density: 1.20±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- Boiling Point: 799.9±60.0 °C(Predicted)
- pka: 15.21±0.29(Predicted)
β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12-bis(acetyloxy)-25-hydroxydammar-20(22)-en-6-yl, 2,3,4,6-tetraacetate Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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