Cas no 362472-79-5 (6,7-Epoxy-1,3,5-trihydroxywith-24-enolide; (1α,3β,5α,6α,7α,20S,22R)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranoside])
![6,7-Epoxy-1,3,5-trihydroxywith-24-enolide; (1α,3β,5α,6α,7α,20S,22R)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranoside] structure](https://ossimg.kuujia.com/scimg/362500/362472-79-5x500.png)
362472-79-5 structure
Product Name:6,7-Epoxy-1,3,5-trihydroxywith-24-enolide; (1α,3β,5α,6α,7α,20S,22R)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranoside]
CAS No:362472-79-5
MF:C40H62O16
MW:798.910694599152
CID:6758978
Update Time:2024-03-03
6,7-Epoxy-1,3,5-trihydroxywith-24-enolide; (1α,3β,5α,6α,7α,20S,22R)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranoside] Chemical and Physical Properties
Names and Identifiers
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- Withanoside II
- (-)-Withanoside II
- 6,7-Epoxy-1,3,5-trihydroxywith-24-enolide; (1α,3β,5α,6α,7α,20S,22R)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranoside]
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- Inchi： 1S/C40H62O16/c1-15-10-22(53-35(49)16(15)2)17(3)19-6-7-20-26-21(8-9-38(19,20)4)39(5)25(42)11-18(12-40(39,50)34-33(26)56-34)52-37-32(48)30(46)28(44)24(55-37)14-51-36-31(47)29(45)27(43)23(13-41)54-36/h17-34,36-37,41-48,50H,6-14H2,1-5H3
- InChI Key： BXRJZGQBQZINGV-UHFFFAOYSA-N
- SMILES： CC(C1OC(=O)C(C)=C(C)C1)C1C2(C(C3C(CC2)C2(C(CC(OC4C(O)C(O)C(O)C(COC5C(O)C(O)C(O)C(CO)O5)O4)CC2O)(O)C2C3O2)C)CC1)C
Computed Properties
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 56
- XLogP3: 1.164
6,7-Epoxy-1,3,5-trihydroxywith-24-enolide; (1α,3β,5α,6α,7α,20S,22R)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranoside] Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
362472-79-5 (6,7-Epoxy-1,3,5-trihydroxywith-24-enolide; (1α,3β,5α,6α,7α,20S,22R)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranoside]) Related Products
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