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Bodipy Cyclopamine (>85%), TRC

Product Code. 30337986
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0.25 mg
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Product Code. 30337986 Supplier Toronto Research Chemicals Supplier No. TRCB6748000.25MG

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Specifications

Chemical Name or Material Bodipy Cyclopamine
CAS 334658-24-1
Molecular Formula C49H70BF2N5O4
Quantity 0.25 mg
Synonym Boron, [5-[(3,5-dimethyl-2H-pyrrol-2-ylidene-κN)methyl]-N-[6-[[2-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,2'R,11aS,11bR)-1,2,3,3',3'a,4,5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3-hydroxy-3',6',10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2'(4'H)-furo[3,2-b]pyridin]-4'-yl]ethyl]amino]-6-oxohexyl]-1H-pyrrole-2-propanamidato-κN1]difluoro-, (T-4)-, (T-4)-[5-[(3,5-Dimethyl-2H-pyrrol-2-ylidene-κN)methyl]-N-[6-[[2-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,2'R,11aS,11bR)-1,2,3,3',3'a,4,5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3-hydroxy-3',6',10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2'(4'H)-furo[3,2-b]pyridin]-4'-yl]ethyl]amino]-6-oxohexyl]-1H-pyrrole-2-propanamidato-κN1]difluoroboron, BODIPY-cyclopamine, Bodipy cyclopamine
InChI Formula InChI=1S/C49H70BF2N5O4/c1-30-24-44-47(34(5)49(61-44)20-18-39-40-15-11-35-26-38(58)17-19-48(35,6)42(40)28-41(39)33(49)4)55(29-30)23-22-54-45(59)10-8-7-9-21-53-46(60)16-14-36-12-13-37-27-43-31(2)25-32(3)56(43)50(51,52)57(36)37/h11-13,25,27,30,34,38-40,42,44,47,58H,7-10,14-24,26,28-29H2,1-6H3,(H,53,60)(H,54,59)/t30?,34?,38-,39?,40?,42?,44+,47?,48?,49?/m0/s1
SMILES C[C@H]1C[C@H]2O[C@]3(CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC4=C3C)[C@H](C)[C@@H]2N(CCNC(=O)CCCCCNC(=O)CCc7ccc8C=C9C(=CC(=[N+]9[B-](F)(F)n78)C)C)C1
IUPAC Name N-[2-[(3S,7'aR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]ethyl]-6-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]hexanamide
Molecular Weight (g/mol) 841.92
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