1. Primary Information
| English name: | 12-O-Acetylazedarachin A |
| CAS No.: | 157750-73-7 |
| Molecular formula: | C73H98 |
| Molecular weight: | 975.6 g/mol |
| SMILES: | CC=CC1C2C3=CC=C1C4CC(C=C(C4)C=CC(=C2C=C(C5=C(C=C=CC=CCCC6CCCC5C6)C(=C3)C7=CC(=CC(C7)C(C)(C)C)C(C)(C)C)C8=CC(=CC(=C8)C(C)(C)C)C(C)C)C(C)(C)C)C(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% | 2880 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
-
4.2 InChI
InChI=1S/C73H98/c1-19-26-61-60-33-32-51-44-63(55-42-58(71(10,11)12)45-59(43-55)72(13,14)15)62-30-24-22-20-21-23-27-48-28-25-29-50(35-48)67(62)64(54-38-52(47(2)3)39-57(41-54)70(7,8)9)46-65(68(51)61)66(73(16,17)18)34-31-49-36-53(60)40-56(37-49)69(4,5)6/h19-22,26,30-34,37-39,41-42,44-48,50,53,56,59,61,68H,23,25,27-29,35-36,40,43H2,1-18H3/b21-20-,26-19+,34-31-,63-44-,64-46-,66-65+,67-62-
4.3 InChIKey
LODBYKNOHKZRBU-GXKOIPEASA-N
4.4 Canonical SMILES
CC=CC1C2C3=CC=C1C4CC(C=C(C4)C=CC(=C2C=C(C5=C(C=C=CC=CCCC6CCCC5C6)C(=C3)C7=CC(=CC(C7)C(C)(C)C)C(C)(C)C)C8=CC(=CC(=C8)C(C)(C)C)C(C)C)C(C)(C)C)C(C)(C)C
4.5 Isomeric SMILES
C/C=C/C1C\2C\3=CC=C1C4CC(C=C(C4)/C=C\C(=C2\C=C(/C/5=C(/C=C=C/C=C\CCC6CCCC5C6)\C(=C3)\C7=CC(=CC(C7)C(C)(C)C)C(C)(C)C)\C8=CC(=CC(=C8)C(C)(C)C)C(C)C)\C(C)(C)C)C(C)(C)C
