Chemical ID: 6634284

CC(CCCO)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Chemical ID:
6634284
Name [?]:
17-(4-hydroxy-1-methyl-butyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SMILES [?]:
CC(CCCO)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
InChi [?]:
InChI=1/C24H38O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-16,19-22,25H,4-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,26,4,3,17,16,8,9,22,13,23,12,5,19,2,18,20,15,7,10,14,24,11,6,21/rA:26cCCCCCOCCCCCCCCCCCCCCOCCCCC/rB:s1;s2;s3;s4;s5;s2;s7;s8;s9;s7s10;s11;s12;s13;s10s14;s15;s16;s17;d18;s19;d20;s20;s22;s14s18s23;s24;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H38O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:7
ZAP Information [?]
Total:10.9249
Area:552.198
Solvation:-2.88
Coulombic:-27.3218
Bond Count [?]
All:29
Single:27
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:358.557
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.38
LogP (Chemaxon):5.45

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Experimental Annotations

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Descriptor Annotations

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