1. Primary Information
| English name: | (8S,9R)-8-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]-9-hydroxy-8,9-dihydrofuro[2,3-h]chromen-2-one |
| CAS No.: | 2188162-94-7 |
| Molecular formula: | C25H32O14 |
| Molecular weight: | 556.5 g/mol |
| SMILES: | CC(C)(C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥96.5% | 6320 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(8S,9R)-8-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]-9-hydroxy-8,9-dihydrofuro[2,3-h]chromen-2-one
4.2 InChI
InChI=1S/C25H32O14/c1-24(2,21-16(29)14-11(36-21)5-3-10-4-6-13(27)38-19(10)14)39-22-18(31)17(30)15(28)12(37-22)7-34-23-20(32)25(33,8-26)9-35-23/h3-6,12,15-18,20-23,26,28-33H,7-9H2,1-2H3/t12-,15-,16-,17+,18-,20+,21+,22+,23-,25-/m1/s1
4.3 InChIKey
VUPSIQAIMVYQGV-UTIGKQGSSA-N
4.4 Canonical SMILES
CC(C)(C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O
4.5 Isomeric SMILES
CC(C)([C@@H]1[C@@H](C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O
