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Chemical ID: 6634037
Chemical ID:
6634037
Name [?]:
17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
SMILES [?]:
CC(C1CCC2C1(CC(C3C2CCC4C3(CCC(C4)O)C)O)C)O
InChi [?]:
InChI=1/C21H36O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h12-19,22-24H,4-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,23,13,12,4,5,17,16,19,8,2,14,18,11,3,6,9,10,15,7,24,20,22/rA:24cCCCCCCCCCCCCCCCCCCCOCOCO/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s6s10;s11;s12;s13;s10s14;s15;s16;s17;s14s18;s18;s15;s9;s7;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H36O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 10 |
ZAP Information [?]
Total: | 8.26729 |
Area: | 484.941 |
Solvation: | -3.85625 |
Coulombic: | -51.8808 |
Bond Count [?]
All: | 27 |
Single: | 27 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 336.509 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 4.32 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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