General Information of the Compound
| Compound ID |
CP0548893
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| Compound Name |
Aceticacid(R)-1-[(4R,4aR,5S,6R,6aR,11bS)-4,5,6-triacetoxy--hydroxy-2,4a,11b-trimethyl-1-(4-phenyl-butyl)-1,2,3,4,4a,4,5,6,9,11a,11b,12,13,13a-tetradecahydro-8-oxa-cyclohepta[a]phenanthren-6a-yl]-ethyl ester
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| Structure |
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| Formula |
C41H56O10
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| Molecular Weight |
708.889
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| Canonical SMILES |
C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3C(O)(CCCCc4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@]3(C)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O
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| InChI |
InChI=1S/C41H56O10/c1-25-23-34(49-28(4)43)39(8)33(41(25,46)20-13-12-17-31-15-10-9-11-16-31)19-21-38(7)32-18-14-22-47-24-40(32,26(2)48-27(3)42)37(51-30(6)45)35(36(38)39)50-29(5)44/h9-11,14-16,18,23,26,32-37,46H,12-13,17,19-22,24H2,1-8H3/t26-,32?,33?,34-,35+,36?,37+,38+,39-,40-,41?/m1/s1
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| InChIKey |
HHOJHZWQMGZJTJ-NJEWBOJOSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound