Cas no 100187-68-6 (b-D-Glucopyranoside, (3b,6b)-5,6,16-trihydroxygrayanotox-9-en-3-yl (9CI))
100187-68-6 structure
Product Name:b-D-Glucopyranoside, (3b,6b)-5,6,16-trihydroxygrayanotox-9-en-3-yl (9CI)
CAS No:100187-68-6
MF:C26H42O9
MW:498.606289386749
CID:191306
Update Time:2024-03-01
b-D-Glucopyranoside, (3b,6b)-5,6,16-trihydroxygrayanotox-9-en-3-yl (9CI) Chemical and Physical Properties
Names and Identifiers
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- b-D-Glucopyranoside, (3b,6b)-5,6,16-trihydroxygrayanotox-9-en-3-yl (9CI)
- 7,9a-Methano-9aH-cyclopenta[b]heptalene,b-D-glucopyranoside deriv.
- Grayanotoxane, b-D-glucopyranosidederiv.
- Pieroside C
- β-D-Glucopyranoside, (3β,6β)-5,6,16-trihydroxygrayanotox-9-en-3-yl (9CI)
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- Inchi： 1S/C26H42O9/c1-12-14-6-5-13-8-25(14,11-24(13,4)32)9-17(28)26(33)15(12)7-18(23(26,2)3)35-22-21(31)20(30)19(29)16(10-27)34-22/h13,15-22,27-33H,5-11H2,1-4H3
- InChI Key： CFWGROMZXWMNOA-UHFFFAOYSA-N
- SMILES： CC1C2CC(C(C2(O)C(O)CC23C=1CCC(C(O)(C)C2)C3)(C)C)OC1C(O)C(O)C(O)C(CO)O1
Computed Properties
- Exact Mass: 498.28296
Experimental Properties
- Density: 1.40±0.1 g/cm3(Predicted)
- Boiling Point: 683.6±55.0 °C(Predicted)
- PSA: 160.07
- pka: 12.91±0.70(Predicted)
b-D-Glucopyranoside, (3b,6b)-5,6,16-trihydroxygrayanotox-9-en-3-yl (9CI) Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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