Chemical ID: 3966363

CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C
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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