General Information of the Compound
| Compound ID |
CP0394995
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| Compound Name |
Aceticacid(R)-1-((4R,4aR,5S,6R,6aR,11bS)-4,5,6-triacetoxy-1-but-3-enyl-1-hydroxy-2,4a,11b-trimethyl-1,2,3,4,4a,4b,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 |
C35H50O10
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| Molecular Weight |
630.775
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| Canonical SMILES |
C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3C(O)(CCC=C)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/C35H50O10/c1-10-11-15-35(40)20(2)18-28(43-23(5)37)33(9)27(35)14-16-32(8)26-13-12-17-41-19-34(26,21(3)42-22(4)36)31(45-25(7)39)29(30(32)33)44-24(6)38/h10,12-13,18,21,26-31,40H,1,11,14-17,19H2,2-9H3/t21-,26?,27?,28-,29+,30?,31+,32+,33-,34-,35?/m1/s1
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| InChIKey |
PSTHWTBOIFDLIS-OCDCYKOQSA-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