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Beauvericin

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For Research Use Only | Not For Clinical Use
CATAPS26048055
CAS26048-05-5
Structure
IUPAC Name(3S,9S,15S)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular Weight783.95
Molecular FormulaC45H57N3O9
Canonical SMILESCC(C)C1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(OC(=O)[C@H](Cc3ccccc3)N(C)C(=O)C(OC(=O)[C@H](Cc4ccccc4)N(C)C1=O)C(C)C)C(C)C
InChIInChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3/t34-,35-,36-,37?,38?,39?/m0/s1
Accurate Mass783.4095
FormatNeat
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