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Chemical ID: 6634284
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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