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Chemical ID: 3966363
Chemical ID:
3966363
Name [?]:
17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SMILES [?]:
CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C
InChi [?]:
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,9,10,17,18,4,13,3,14,7,8,5,11,16,12,19,2,15,6,20/rA:21cCCCCCOCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s2s7;s8;s9;s10;s2s11;s12;s13;s14;s11s15;s16;s17;s15s18;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 8.38001 |
Area: | 443.236 |
Solvation: | -2.70089 |
Coulombic: | -25.4333 |
Bond Count [?]
All: | 24 |
Single: | 23 |
Double: | 1 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 290.44 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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