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Chemical ID: 5578467
Chemical ID:
5578467
Name [?]:
10,13-dimethyl-3-phenyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
SMILES [?]:
CC12CCC3C(C1CCC2O)CCC4C3(CC=C(C4)c5ccccc5)C
InChi [?]:
InChI=1/C25H34O/c1-24-14-12-18(17-6-4-3-5-7-17)16-19(24)8-9-20-21-10-11-23(26)25(21,2)15-13-22(20)24/h3-7,12,19-23,26H,8-11,13-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:26,1,23,22,24,21,25,13,12,8,9,17,4,16,3,19,20,18,14,6,7,5,10,15,2,11/E:(4,5)(6,7)/rA:26cCCCCCCCCCCOCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2s9;s10;s6;s12;s13;s5s14;s15;s16;d17;s14s18;s18;s20;d21;s22;d23;d20s24;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H34O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 11.5281 |
Area: | 532.32 |
Solvation: | -1.77991 |
Coulombic: | -21.8159 |
Bond Count [?]
All: | 30 |
Single: | 26 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 350.537 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 6.74 |
LogP (Chemaxon): | 5.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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