1. Primary Information
| English name: | CID 137796398 |
| CAS No.: | 1616080-84-2 |
| Molecular formula: | C42H56O6 |
| Molecular weight: | 656.9 g/mol |
| SMILES: | CC1=CCCC2(C1CC3C(=C)CCC4C3(CCCC4(C)C)C(=O)O)C5=C(C=CC6=C5C(CC7C6(CCCC7(C)C)C)OC(=O)C)OC2=O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥95% | 7440 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
4-[(4-acetyloxy-2',6,6,9a-tetramethyl-2-oxospiro[4,5,5a,7,8,9-hexahydronaphtho[2,1-e][1]benzofuran-3,6'-cyclohex-2-ene]-1'-yl)methyl]-8,8-dimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalene-4a-carboxylic acid
4.2 InChI
InChI=1S/C42H56O6/c1-24-12-9-20-42(29(24)22-28-25(2)13-16-32-38(4,5)18-11-21-41(28,32)36(44)45)35-30(48-37(42)46)15-14-27-34(35)31(47-26(3)43)23-33-39(6,7)17-10-19-40(27,33)8/h12,14-15,28-29,31-33H,2,9-11,13,16-23H2,1,3-8H3,(H,44,45)
4.3 InChIKey
OXWHIFHQUHPEDR-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=CCCC2(C1CC3C(=C)CCC4C3(CCCC4(C)C)C(=O)O)C5=C(C=CC6=C5C(CC7C6(CCCC7(C)C)C)OC(=O)C)OC2=O
4.5 Isomeric SMILES
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