Krische Ir Catalyst: (S)-SEGPHOS, 3-nitrobenzoate ligated RNI00091-100MG

Empirical Formula (Hill Notation):	C48H36IrNO8P2
Molecular Weight:	1008.97
MDL number:	MFCD27978282
PubChem Substance ID:	329824335

Catalyst developed by the Krische Group to affect the asymmetric carbonyl tert-prenylation (and allylation) from the alcohol or aldehyde oxidation level. Critical to the Krische groups approach to Bryostatin 7, this catalyst is highly relevant for polyketide synthesis.
Total Synthesis of Bryostatin 7 via C–C Bond-Forming Hydrogenation,
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reaction suitability	core: iridium, reagent type: catalyst
SMILES string	[C][C][C].O=C(O[Ir]1)C2=C1C=CC([N+]([O-])=O)=C2.P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C6C(OCO6)=C5C7=C8C(OCO8)=CC=C7P(C9=CC=CC=C9)C%10=CC=CC=C%10
InChI	1S/C38H28O4P2.C7H4NO4.C3H5.Ir/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;9-7(10)5-2-1-3-6(4-5)8(11)12;1-3-2;/h1-24H,25-26H2;1,3-4H,(H,9,10);3H,1-2H2;/q;;;+1/p-1
InChI key	IQGKEOYRCUDYRW-UHFFFAOYSA-M

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable