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Chemical ID: 6659716

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)OC)C)C

Chemical ID:

6659716

Name [?]:

[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-methoxy-methanone

SMILES [?]:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)OC)C)C

InChi [?]:

InChI=1/C29H48O3/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(32-27(30)31-6)14-16-28(21,4)26(23)15-17-29(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3

InChi Info:

AuxInfo=1/0/N:1,3,8,31,32,30,5,4,6,19,18,10,11,23,15,22,14,25,2,7,20,24,17,9,12,16,27,21,13,28,29,26/E:(1,2)/rA:32cCCCCCCCCCCCCCCCCCCCCCCCCCOCOOCCC/rB:s1;s2;s2;s4;s5;s6;s7;s7;s9;s10;s11;s9s12;s13;s14;s15;s12s16;s17;s18;d19;s16s20;s21;s22;s23;s20s24;s24;s26;d27;s27;s29;s21;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₄₈O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	8

ZAP Information [?]

Total:	15.4151
Area:	684.556
Solvation:	-1.6988
Coulombic:	-38.0539

Bond Count [?]

All:	35
Single:	33
Double:	2
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	444.69
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	9.11
LogP (Chemaxon):	7.93

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value