1. Primary Information
| English name: | Minisecolide C |
| CAS No.: | 1967030-77-8 |
| Molecular formula: | C28H34O7 |
| Molecular weight: | 482.6 g/mol |
| SMILES: | CC1=C(C(=O)OC(C1)C2(C3CCC(=O)C4CC=C5C=CCC(=O)C5(C4CCC3(C(=O)O2)O)C)C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 6320 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(1S,4S,7R,8S,12R,20R)-7-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4-hydroxy-7,20-dimethyl-6-oxatetracyclo[10.8.0.04,8.015,20]icosa-14,16-diene-5,11,19-trione
4.2 InChI
InChI=1S/C28H34O7/c1-15-14-23(34-24(31)16(15)2)27(4)21-11-10-20(29)18-9-8-17-6-5-7-22(30)26(17,3)19(18)12-13-28(21,33)25(32)35-27/h5-6,8,18-19,21,23,33H,7,9-14H2,1-4H3/t18-,19+,21-,23-,26+,27-,28+/m1/s1
4.3 InChIKey
NKNVDCJQBPLFCC-GFHVMFGFSA-N
4.4 Canonical SMILES
CC1=C(C(=O)OC(C1)C2(C3CCC(=O)C4CC=C5C=CCC(=O)C5(C4CCC3(C(=O)O2)O)C)C)C
4.5 Isomeric SMILES
CC1=C(C(=O)O[C@H](C1)[C@]2([C@H]3CCC(=O)[C@@H]4CC=C5C=CCC(=O)[C@@]5([C@H]4CC[C@]3(C(=O)O2)O)C)C)C
