Chemical ID: 6634037

CC(C1CCC2C1(CC(C3C2CCC4C3(CCC(C4)O)C)O)C)O
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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