1. Primary Information
| English name: | CID 6449904 |
| CAS No.: | 62820-11-5 |
| Molecular formula: | C29H36O6 |
| Molecular weight: | 480.6 g/mol |
| SMILES: | CC1CC2(C(C1O)C3C(O3)(CCC4C(C4(C)C)C=C(C2=O)CO)C)OC(=O)C=CC5=CC=CC=C5 |
| Structural class: | |
| Other identifiers: |
1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-2-hydroxy-6-(hydroxymethyl)-3,8,8,10a-tetramethyl-5-oxo-4aH-cyclopenta(3,4)cyclopropa(8,9)cycloundec(1,2-b)oxiren-4a-yl ester jolkinol A |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 5600 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(10Z)-16-hydroxy-11-(hydroxymethyl)-4,8,8,15-tetramethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-13-yl] (E)-3-phenylprop-2-enoate
4.2 InChI
InChI=1S/C29H36O6/c1-17-15-29(34-22(31)11-10-18-8-6-5-7-9-18)23(24(17)32)26-28(4,35-26)13-12-20-21(27(20,2)3)14-19(16-30)25(29)33/h5-11,14,17,20-21,23-24,26,30,32H,12-13,15-16H2,1-4H3/b11-10+,19-14-
4.3 InChIKey
ZLHWPIKKGZWBKR-OFTDCZQLSA-N
4.4 Canonical SMILES
CC1CC2(C(C1O)C3C(O3)(CCC4C(C4(C)C)C=C(C2=O)CO)C)OC(=O)C=CC5=CC=CC=C5
4.5 Isomeric SMILES
CC1CC2(C(C1O)C3C(O3)(CCC4C(C4(C)C)/C=C(\C2=O)/CO)C)OC(=O)/C=C/C5=CC=CC=C5
