Chemical ID: 6047310

CC(CCCO)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Chemical ID:
6047310
Name [?]:
17-(4-hydroxy-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
SMILES [?]:
CC(CCCO)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChi [?]:
InChI=1/C24H42O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h14-22,25-28H,4-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,28,4,3,8,9,21,20,5,23,17,13,2,18,22,7,10,14,16,12,15,19,11,6,24,26,27/rA:28cCCCCCOCCCCCCCCCCCCCCCCCOCOOC/rB:s1;s2;s3;s4;s5;s2;s7;s8;s9;s7s10;s11;s12;s13;s10s14;s15;s16;s17;s14s18;s19;s20;s21;s18s22;s22;s19;s16;s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H42O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:11
ZAP Information [?]
Total:9.60378
Area:566.707
Solvation:-4.56391
Coulombic:-69.0782
Bond Count [?]
All:31
Single:31
Double:0
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:394.588
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:4.2
LogP (Chemaxon):3.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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