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17-Amino Geldanamycin-[13C,15N2]

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General Information
Catalog: BLP-007883
Molecular Formula: C27[13C]H39N[15N]2O8
Molecular Weight: 548.60

Chemical Structure

Description	17-Amino Geldanamycin-[13C,15N2] is the labelled analogue of 17-Amino Geldanamycin, which is an active metabolite of 17-(Allylamino)geldanamycin (17AAG).
Synonyms	17-Amino Geldanamycin-13C,15N2; 17-Amino-17-demethoxygeldanamycin-13C,15N2; 17-Aminogeldanamycin-13C,15N2; NSC 255109-13C,15N2; 17AG-13C,15N2
IUPAC Name	(4E,6E,8S,9S,10E,12S,13R,14S,16R)-19-(amino-15N)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate-13C-15N
Related CAS	64202-81-9 (unlabelled)
Canonical SMILES	CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)C)OC)OC(=O)N)C)C)O)OC
InChI	InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,33H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/t14-,16+,21+,22+,24-,26+/m1/s1/i28+1,29+1,30+1
InChI Key	XYFFWTYOFPSZRM-UQUPLMLFSA-N
Purity	≥95%
Solubility	Soluble in Chloroform, Methanol
Appearance	Purple Solid
Storage	Store at -20°C