Chemical ID: 5056051

CCCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Chemical ID:
5056051
Name [?]:
10,13-dimethyl-17-(1-methylpentyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILES [?]:
CCCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChi [?]:
InChI=1/C25H42O/c1-5-6-7-17(2)21-10-11-22-20-9-8-18-16-19(26)12-14-24(18,3)23(20)13-15-25(21,22)4/h8,17,19-23,26H,5-7,9-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,6,25,26,2,3,4,17,16,8,9,21,13,20,12,23,5,18,22,15,7,10,14,19,11,24/rA:26cCCCCCCCCCCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s7s10;s11;s12;s13;s10s14;s15;s16;d17;s14s18;s19;s20;s21;s18s22;s22;s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H42O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:8
ZAP Information [?]
Total:12.4297
Area:557.928
Solvation:-1.51851
Coulombic:-21.7601
Bond Count [?]
All:29
Single:28
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:358.6
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:7.33
LogP (Chemaxon):6.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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