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Chemical ID: 6634243
Chemical ID:
6634243
Name [?]:
17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILES [?]:
CCC(CCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C)C(C)C
InChi [?]:
InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,19-21,23,25-27,30H,7-9,12-18H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,29,30,7,26,27,2,5,4,18,17,9,10,22,14,21,13,24,28,6,3,19,23,16,8,11,15,20,12,25/E:(2,3)/rA:30cCCCCCCCCCCCCCCCCCCCCCCCCOCCCCC/rB:s1;s2;s3;s4;s5;s6;s6;s8;s9;s10;s8s11;s12;s13;s14;s11s15;d16;s17;d18;s15s19;s20;s21;s22;s19s23;s23;s20;s12;s3;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H48O |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 13.94 |
Area: | 626.573 |
Solvation: | -1.72431 |
Coulombic: | -22.7095 |
Bond Count [?]
All: | 33 |
Single: | 31 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 412.691 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 8.06 |
LogP (Chemaxon): | 7.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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