1. Primary Information
| English name: | CID 6850745 |
| CAS No.: | 8007-46-3 |
| Molecular formula: | C50H82O4 |
| Molecular weight: | 747.2 g/mol |
| SMILES: | CC1=CCC(CC1)C(C)(C)O.CC1=CC=C(C=C1)C(C)C.CC1=CC(=C(C=C1)C(C)C)O.CC(C)C12CCC(C1C2)(C)O.CC(=CCCC(C)(C=C)O)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100ml | 35% | 144 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3,7-dimethylocta-1,6-dien-3-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol;5-methyl-2-propan-2-ylphenol
4.2 InChI
InChI=1S/2C10H18O.C10H14O.C10H18O.C10H14/c1-7(2)10-5-4-9(3,11)8(10)6-10;1-8-4-6-9(7-5-8)10(2,3)11;1-7(2)9-5-4-8(3)6-10(9)11;1-5-10(4,11)8-6-7-9(2)3;1-8(2)10-6-4-9(3)5-7-10/h7-8,11H,4-6H2,1-3H3;4,9,11H,5-7H2,1-3H3;4-7,11H,1-3H3;5,7,11H,1,6,8H2,2-4H3;4-8H,1-3H3
4.3 InChIKey
VOHUWOUGEDDNDQ-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=CCC(CC1)C(C)(C)O.CC1=CC=C(C=C1)C(C)C.CC1=CC(=C(C=C1)C(C)C)O.CC(C)C12CCC(C1C2)(C)O.CC(=CCCC(C)(C=C)O)C
4.5 Isomeric SMILES
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