Iejimalide A (CAS NO : 117582-91-9)

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Chemical Properties & Specifications

Identifiers of Iejimalide A

Canonical Smiles

CC1C=CC(=CC(CC=CC(=CCCC(C=CC=CC(C(OC(=O)C=C1)C(=CC=C(C)CNC(=O)C(CO)NC=O)C)C)OC)C)OC)C

Inchi Key

FAVMTJDTJCBNEZ-MDFWTKNVSA-N

Inchi

InChI=1S/C40H58N2O7/c1-29-13-11-17-35(47-7)16-10-9-15-33(5)39(34(6)23-21-32(4)26-41-40(46)37(27-43)42-28-44)49-38(45)24-22-30(2)19-20-31(3)25-36(48-8)18-12-14-29/h9-10,12-16,19-25,28,30,33,35-37,39,43H,11,17-18,26-27H2,1-8H3,(H,41,46)(H,42,44)/b14-12+,15-9+,16-10+,20-19+,24-22+,29-13-,31-25+,32-21+,34-23+/t30-,33+,35-,36+,37+,39+/m1/s1

CAS Number

117582-91-9

Molecular Formula

C40H58N2O7

IUPAC

(2S)-N-[(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17E,19E,21R,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide