1. Primary Information
| English name: | Tenuifoliose J |
| CAS No.: | 147742-14-1 |
| Molecular formula: | C59H72O33 |
| Molecular weight: | 1309.2 g/mol |
| SMILES: | CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC=C(C=C6)O)COC(=O)C)OC(=O)C=CC7=CC=C(C=C7)O)O)OC8C(C(C(C(O8)CO)O)O)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | HPLC≥98% | 8000 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[2-[6-(acetyloxymethyl)-4-[6-(acetyloxymethyl)-3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
4.2 InChI
InChI=1S/C59H72O33/c1-26(63)79-23-36-42(71)50(87-55-46(75)44(73)40(69)33(20-60)82-55)48(77)57(84-36)88-51-49(86-39(68)19-13-29-10-16-32(66)17-11-29)37(24-80-27(2)64)85-58(52(51)89-56-47(76)45(74)41(70)34(21-61)83-56)92-59(25-81-38(67)18-12-28-8-14-31(65)15-9-28)53(43(72)35(22-62)91-59)90-54(78)30-6-4-3-5-7-30/h3-19,33-37,40-53,55-58,60-62,65-66,69-77H,20-25H2,1-2H3/b18-12+,19-13+
4.3 InChIKey
IMBDWRYPYUQSAB-KLCVKJMQSA-N
4.4 Canonical SMILES
CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC=C(C=C6)O)COC(=O)C)OC(=O)C=CC7=CC=C(C=C7)O)O)OC8C(C(C(C(O8)CO)O)O)O)O
4.5 Isomeric SMILES
CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)/C=C/C6=CC=C(C=C6)O)COC(=O)C)OC(=O)/C=C/C7=CC=C(C=C7)O)O)OC8C(C(C(C(O8)CO)O)O)O)O
