Isatidine
[CAS# 15503-86-3]

Identification

• Name: Isatidine
• Synonyms: Isatidine; Retrorsine N-Oxide; (3Z,5R,6S,14Ar,14Br)-3-Ethylidene-6-Hydroxy-6-(Hydroxymethyl)-5-Methyl-3,4,5,6,9,11,13,14,14A,14B-Decahydro[1,6]Dioxacyclododecino[2,3,4-Gh]Pyrrolizine-2,7-Dione 12-Oxide
• Molecular Formula: C₁₈H₂₅NO₇
• Molecular Weight: 367.40
• CAS Registry Number: 15503-86-3
• SMILES: [C@H]12[N+]3([O-])CC[C@H]1OC(=O)C(=C\C)/C[C@H]([C@@](C(OCC2=CC3)=O)(CO)O)C
• InChI: 1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1
• InChIKey: IDIMIWQPUHURPV-WTWIWYCDSA-N