1. Primary Information
| English name: | Physaminimin N |
| CAS No.: | 2131235-87-3 |
| Molecular formula: | C28H36O8 |
| Molecular weight: | 500.6 g/mol |
| SMILES: | CC1=C(C(=O)OC(C1)C2(C3CCC4(C3(CCC5C4CC(C6(C5(C(=O)C=CC6)C)O)O)C(=O)O2)O)C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥97.5% | 6320 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(1R,2R,5S,6R,9S,12S,13R,18R,19R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2,18,19-trihydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-15-ene-8,14-dione
4.2 InChI
InChI=1S/C28H36O8/c1-14-12-21(35-22(31)15(14)2)25(4)18-8-11-27(33)17-13-20(30)28(34)9-5-6-19(29)24(28,3)16(17)7-10-26(18,27)23(32)36-25/h5-6,16-18,20-21,30,33-34H,7-13H2,1-4H3/t16-,17+,18+,20+,21+,24-,25+,26+,27+,28-/m0/s1
4.3 InChIKey
PMJMDQQHBCVGBA-SVYXCKMUSA-N
4.4 Canonical SMILES
CC1=C(C(=O)OC(C1)C2(C3CCC4(C3(CCC5C4CC(C6(C5(C(=O)C=CC6)C)O)O)C(=O)O2)O)C)C
4.5 Isomeric SMILES
CC1=C(C(=O)O[C@H](C1)[C@]2([C@H]3CC[C@@]4([C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@]6([C@@]5(C(=O)C=CC6)C)O)O)C(=O)O2)O)C)C
