1. Primary Information
| English name: | Forrestin A |
| CAS No.: | 152175-76-3 |
| Molecular formula: | C30H42O11 |
| Molecular weight: | 578.6 g/mol |
| SMILES: | CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(C3OC(=O)C)OC(=O)C)(C)C)O)OC(=O)C)C)C(C2=C)OC(=O)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 5760 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(1R,2R,3R,4S,6S,8S,9R,10R,11S,13S,15R)-2,3,8,15-tetraacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
4.2 InChI
InChI=1S/C30H42O11/c1-13-19-10-20(37-14(2)31)24-29(9)22(38-15(3)32)11-21(36)28(7,8)25(29)23(39-16(4)33)27(41-18(6)35)30(24,12-19)26(13)40-17(5)34/h19-27,36H,1,10-12H2,2-9H3/t19-,20+,21+,22+,23-,24-,25+,26-,27+,29-,30-/m1/s1
4.3 InChIKey
IBZKZJFIBDPMSV-XKIVFHDSSA-N
4.4 Canonical SMILES
CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(C3OC(=O)C)OC(=O)C)(C)C)O)OC(=O)C)C)C(C2=C)OC(=O)C
4.5 Isomeric SMILES
CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@H]1[C@]4([C@H](C[C@@H](C([C@@H]4[C@H]([C@@H]3OC(=O)C)OC(=O)C)(C)C)O)OC(=O)C)C)[C@@H](C2=C)OC(=O)C
