Analyte Name

Purpurin 18

CAS Number

25465-77-4

Molecular Formula

C33 H32 N4 O5

Molecular Weight

564.631

Accurate Mass

564.237

SMILES

CCc1c(C)c2cc3[nH]c(cc4nc([C@H](CCC(=O)O)[C@H]4C)c5C(=O)OC(=O)c6c(C)c(cc1n2)[nH]c56)C(=C3C=C)C

InChI

InChI=1S/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11-,22-12-,23-11-,24-13-,25-12-,26-13-,30-29+/t16-,20-/m1/s1

IUPAC

3-[(22R,23R)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetrazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19,21(24)-decaen-23-yl]propanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat