(3aR,3a1S,9aR)-3a1-(2-((Cyclopropylmethyl)(methyl)amino)ethyl)-5,9a-dihydroxy-1,3a,3a1,9a-tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one Fumarate
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![(3aR,3a1S,9aR)-3a1-(2-((Cyclopropylmethyl)(methyl)amino)ethyl)-5,9a-dihydroxy-1,3a,3a1,9a-tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one Fumarate](https://assets.lgcstandards.com/sys-master%2Fimages%2Fh6d%2Fhbc%2F10645601484830%2FC122820.png)
- structure.search.product.name (3aR,3a1S,9aR)-3a1-(2-((Cyclopropylmethyl)(methyl)amino)ethyl)-5,9a-dihydroxy-1,3a,3a1,9a-tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one Fumarate
- Product Code: TRC-C122820-5MG
- Brand: TRC
Product Overview
Product Code
TRC-C122820-5MG
Product Format
Neat
Molecular Formula
C21 H25 N O4 . C4 H4 O4
Molecular Weight
471.5
Product Categories
Product Type
MetaboliteDocumentation
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Product Information
Chemical Data
Analyte Name
(3aR,3a1S,9aR)-3a1-(2-((Cyclopropylmethyl)(methyl)amino)ethyl)-5,9a-dihydroxy-1,3a,3a1,9a-tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one Fumarate
Molecular Formula
C21 H25 N O4 . C4 H4 O4
Molecular Weight
471.5
Accurate Mass
471.189
SMILES
CN(CC[C@]12[C@H]3Oc4c(O)ccc(C=C[C@]1(O)CCC3=O)c24)CC5CC5.OC(=O)\C=C\C(=O)O
InChI
InChI=1S/C21H25NO4.C4H4O4/c1-22(12-13-2-3-13)11-10-21-17-14-4-5-15(23)18(17)26-19(21)16(24)7-9-20(21,25)8-6-14;5-3(6)1-2-4(7)8/h4-6,8,13,19,23,25H,2-3,7,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-,20-,21-;/m0./s1
IUPAC
(E)-but-2-enedioic acid;(1R,5R,14S)-14-[2-[cyclopropylmethyl(methyl)amino]ethyl]-5,11-dihydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-6,8(13),9,11-tetraen-2-one
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
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