Chemical ID: 5039361

CC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)O)C
Chemical ID:
5039361
Name [?]:
17-hydroxy-7,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SMILES [?]:
CC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)O)C
InChi [?]:
InChI=1/C20H30O2/c1-12-10-13-11-14(21)6-8-19(13,2)16-7-9-20(3)15(18(12)16)4-5-17(20)22/h11-12,15-18,22H,4-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,14,15,8,19,9,18,3,5,2,4,6,13,11,16,12,10,17,7,21/rA:22cCCCCCCOCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s4s9;s10;s2s11;s12;s13;s14;s15;s13s16;s17;s11s18;s17;s16;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:7
ZAP Information [?]
Total:8.60694
Area:451.857
Solvation:-2.68948
Coulombic:-26.386
Bond Count [?]
All:25
Single:23
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:302.451
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.11
LogP (Chemaxon):4.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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