1. Primary Information
| English name: | Anthriscifoldine B |
| CAS No.: | 1158213-52-5 |
| Molecular formula: | C25H39NO7 |
| Molecular weight: | 465.6 g/mol |
| SMILES: | CCN1CC2(CCC(C34C2CC5(C31)C6(CC(C7CC4(C6C7O)O)OC)OCO5)OC)COC |
| Structural class: | |
| Other identifiers: |
anthriscifoldine B |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 97.5% | 6560 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S,3S,5S,6S,8R,16S,19S,20R)-14-ethyl-6,19-dimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,4-diol
4.2 InChI
InChI=1S/C25H39NO7/c1-5-26-11-21(12-29-2)7-6-17(31-4)25-16(21)10-24(20(25)26)23(32-13-33-24)9-15(30-3)14-8-22(25,28)19(23)18(14)27/h14-20,27-28H,5-13H2,1-4H3/t14-,15+,16-,17+,18?,19+,20?,21+,22+,23-,24?,25?/m1/s1
4.3 InChIKey
BQAIPUYVXFRLNA-QLPNAALRSA-N
4.4 Canonical SMILES
CCN1CC2(CCC(C34C2CC5(C31)C6(CC(C7CC4(C6C7O)O)OC)OCO5)OC)COC
4.5 Isomeric SMILES
CCN1C[C@@]2(CC[C@@H](C34[C@@H]2CC5(C31)[C@]6(C[C@@H]([C@H]7C[C@@]4([C@@H]6C7O)O)OC)OCO5)OC)COC
