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Chemical ID: 6633680
Chemical ID:
6633680
Name [?]:
16-cyclohexyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
SMILES [?]:
CC12CCC(CC1=CCC3C2CCC4(C3CC(C4=O)C5CCCCC5)C)O
InChi [?]:
InChI=1/C25H38O2/c1-24-12-10-18(26)14-17(24)8-9-19-21(24)11-13-25(2)22(19)15-20(23(25)27)16-6-4-3-5-7-16/h8,16,18-22,26H,3-7,9-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,23,22,24,21,25,8,9,4,12,3,13,6,16,20,7,5,10,17,11,15,18,2,14,27,19/E:(4,5)(6,7)/rA:27cCCCCCCCCCCCCCCCCCCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;d7;s8;s9;s2s10;s11;s12;s13;s10s14;s15;s16;s14s17;d18;s17;s20;s21;s22;s23;s20s24;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H38O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 10.8857 |
Area: | 549.387 |
Solvation: | -2.84896 |
Coulombic: | -27.5028 |
Bond Count [?]
All: | 31 |
Single: | 29 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 370.568 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.51 |
LogP (Chemaxon): | 5.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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