Chemical ID: 7342953

CC(=O)OC1CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C
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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