Cas no 362472-80-8 (6,7-Epoxy-1,3,5-trihydroxywith-24-enolide; (1α,3β,5α,6α,7α,20S,22R)-form, 27-Hydroxy, 3-O-β-D-glucopyranoside)
362472-80-8 structure
Product Name:6,7-Epoxy-1,3,5-trihydroxywith-24-enolide; (1α,3β,5α,6α,7α,20S,22R)-form, 27-Hydroxy, 3-O-β-D-glucopyranoside
CAS No:362472-80-8
MF:C34H52O12
MW:652.769492149353
CID:6758980
Update Time:2024-03-03
6,7-Epoxy-1,3,5-trihydroxywith-24-enolide; (1α,3β,5α,6α,7α,20S,22R)-form, 27-Hydroxy, 3-O-β-D-glucopyranoside Chemical and Physical Properties
Names and Identifiers
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- Withanoside III
- (-)-Withanoside III
- 6,7-Epoxy-1,3,5-trihydroxywith-24-enolide; (1α,3β,5α,6α,7α,20S,22R)-form, 27-Hydroxy, 3-O-β-D-glucopyranoside
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- Inchi： 1S/C34H52O12/c1-14-9-21(44-30(41)17(14)12-35)15(2)18-5-6-19-24-20(7-8-32(18,19)3)33(4)23(37)10-16(11-34(33,42)29-28(24)46-29)43-31-27(40)26(39)25(38)22(13-36)45-31/h15-16,18-29,31,35-40,42H,5-13H2,1-4H3
- InChI Key： RRWWSMHWDKRGQC-UHFFFAOYSA-N
- SMILES： CC(C1OC(=O)C(CO)=C(C)C1)C1C2(C(C3C(CC2)C2(C(CC(OC4C(O)C(O)C(O)C(CO)O4)CC2O)(O)C2C3O2)C)CC1)C
Computed Properties
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 46
- XLogP3: 2.093
6,7-Epoxy-1,3,5-trihydroxywith-24-enolide; (1α,3β,5α,6α,7α,20S,22R)-form, 27-Hydroxy, 3-O-β-D-glucopyranoside Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
362472-80-8 (6,7-Epoxy-1,3,5-trihydroxywith-24-enolide; (1α,3β,5α,6α,7α,20S,22R)-form, 27-Hydroxy, 3-O-β-D-glucopyranoside) Related Products
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