1. Primary Information
| English name: | 11-Deoxyisomogroside V |
| CAS No.: | 1628293-32-2 |
| Molecular formula: | C60H102O28 |
| Molecular weight: | 1271.4 g/mol |
| SMILES: | CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CCC6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥95% | 5200 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[[6-[6-[3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-2-methylheptan-3-yl]oxy-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
4.2 InChI
InChI=1S/C60H102O28/c1-24(9-13-35(57(4,5)78)86-55-50(88-54-47(76)42(71)38(67)30(21-63)82-54)43(72)39(68)32(84-55)23-79-51-45(74)40(69)36(65)28(19-61)80-51)25-15-16-60(8)33-12-10-26-27(58(33,6)17-18-59(25,60)7)11-14-34(56(26,2)3)85-52-48(77)44(73)49(31(22-64)83-52)87-53-46(75)41(70)37(66)29(20-62)81-53/h10,24-25,27-55,61-78H,9,11-23H2,1-8H3
4.3 InChIKey
LTRZINLOFYUEQL-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CCC6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)C
4.5 Isomeric SMILES
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