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Catalog Number | ACM7336336-1 |
CAS Number | 7336-33-6 |
IUPAC Name | N-[(7S)-3-Hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide |
Molecular Weight | 385.41 |
Molecular Formula | C21H23NO6 |
Canonical SMILES | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O |
InChI | InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-17(25)20(27-3)21(28-4)19(12)13-6-8-18(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1 |
InChI Key | JRRUSQGIRBEMRN-HNNXBMFYSA-N |
Purity | 98%+ (HPLC) |
Storage | Store in dry, low temperature, sealed, 2-8 °C. |
Complexity | 724 |
Exact Mass | 385.15253745 |
Heavy Atom Count | 28 |
Isomeric SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O |
Monoisotopic Mass | 385.15253745 |
Topological Polar Surface Area | 94.1Ų |
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