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TBDMS-Monacolin K-isopentane-[d6]

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General Information
Catalog: BLP-013859
CAS: 1335460-29-1
Molecular Formula: C31H46D6O5Si
Molecular Weight: 538.86

Chemical Structure

Description	TBDMS-Monacolin K-isopentane-[d6] is the labelled analogue of TBDMS-Monacolin K-isopentane, which is an intermediate of Simvastatin.
Synonyms	TBDMS-Monacolin K-isopentane-d6; 6(R)-[2-(8(S)-(2,2-Dimethyl-d6-butyryl)oxy]-2(S),6(R)-dimethyl-1,2,6,7,8,8a(R)-hexahydro-1(S)-naphthyl]ethyl-4(R)-(t-butyl-dimethylsilyl)oxy-3,4,5,6-tetrahydro-2H-pyran-2-one
IUPAC Name	[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate
Related CAS	79902-59-3 (unlabelled)
Canonical SMILES	CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O[Si](C)(C)C(C)(C)C)C
InChI	InChI=1S/C31H52O5Si/c1-11-31(7,8)29(33)35-26-17-20(2)16-22-13-12-21(3)25(28(22)26)15-14-23-18-24(19-27(32)34-23)36-37(9,10)30(4,5)6/h12-13,16,20-21,23-26,28H,11,14-15,17-19H2,1-10H3/t20-,21-,23+,24+,25-,26-,28-/m0/s1/i7D3,8D3
InChI Key	YYCIOXJPTWKWAF-KCFSGUQJSA-N
Purity	≥90%
Solubility	Soluble in Dichloromethane, DMF, DMSO, Ether, Ethyl Acetate, Methanol
Appearance	Tan Solid