1. Primary Information
| English name: | Glucopyranoside,(3beta,25R)-17-hydroxyspirost-5-en-3-yl |
| CAS No.: | 84914-58-9 |
| Molecular formula: | C44H70O17 |
| Molecular weight: | 871.0 g/mol |
| SMILES: | CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)O)C)OC1 |
| Structural class: | |
| Other identifiers: |
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2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 1440 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[4-hydroxy-6-(hydroxymethyl)-2-(8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
4.2 InChI
InChI=1S/C44H70O17/c1-19-8-13-43(55-17-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)57-40-37(60-39-34(51)32(49)30(47)20(2)56-39)35(52)36(28(16-45)58-40)59-38-33(50)31(48)27(46)18-54-38/h6,19-21,23-40,45-53H,7-18H2,1-5H3
4.3 InChIKey
MXFOMMHAIRXMFQ-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)O)C)OC1
4.5 Isomeric SMILES
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