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Amb33832749

Duplicate ID
CAS Number 100015-12-1
Molecule Name Prespicatin
SmilesCC1=C[C@@H](O)[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](CC2=C)OC(=O)/C(/COC(=O)/C(/CO)=C/C)=C/C
InchiKeyRFUWVTBKHFXDFD-QFKBBTMNSA-N
InChi InChI=1S/C25H30O8/c1-6-15(10-26)24(29)31-11-16(7-2)25(30)32-18-9-13(4)19-17(27)8-12(3)20(19)22-21(18)14(5)23(28)33-22/h6-8,17-22,26-27H,4-5,9-11H2,1-3H3/b15-6+,16-7+/t17-,18-,19-,20+,21-,22-/m1/s1
Formula C25H30O8
Molecular weight 458.501
Rings 3
logP 1.9372
PSA 119.36
MR 119.756
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