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butylboronic acid; 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
butylboronic acid; 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
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Descriptors Computed from Structure
Canonical SMILES:
B(CCCC)(O)O.CC(C)NCC(COC1=CC=CC2=C1C=CN2)O
Isomeric SMILES
B(CCCC)(O)O.CC(C)NCC(COC1=CC=CC2=C1C=CN2)O
InChI
InChI=1S/C14H20N2O2.C4H11BO2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13;1-2-3-4-5(6)7/h3-7,10-11,15-17H,8-9H2,1-2H3;6-7H,2-4H2,1H3
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- [(3R,5S,7R,8R,9S,10S,12S,13S,14S,17S)-12-acetyloxy-17-ethanoyl-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl] ethanoate
- (4aS,10aR)-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
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- (5S,8R,9S,10R,13S,14S)-4,4,10,13-tetramethyl-N-phenethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-amine
- methyl (4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-[2,2,2-tris(fluoranyl)ethanoyloxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
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- [(3S,8R,9S,10S,13R,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
- [(6S,8R,9S,10R,13S,14S,16R,17R)-17-ethanoyl-6,10,13,16-tetramethyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate
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- (6R,8S,9S,10R,13S,14S,16R,17S)-17-ethanoyl-6,10,13,16-tetramethyl-6-oxidanyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
