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Chemical ID: 7342953
Chemical ID:
7342953
Name [?]:
(13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
SMILES [?]:
CC(=O)OC1CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C
InChi [?]:
InChI=1/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h9-11,17-19H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,20,15,21,14,7,6,11,10,18,2,19,16,13,12,22,8,5,9,3,17,4/rA:23cCCOOCCCCCCCCCCCCOCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s5s8;s9;d10;s11;d12;s13;s14;s15;d16;s16;s13d18;s19;s20;s8s12s21;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24O3 |
All Atoms: | 47 |
Heavy Atoms: | 23 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 9.16375 |
Area: | 483.225 |
Solvation: | -2.91687 |
Coulombic: | -26.7382 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 312.403 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.62 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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