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Chemical ID: 6634239

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)C(C)C

Chemical ID:

6634239

Name [?]:

[17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

SMILES [?]:

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)C(C)C

InChi [?]:

InChI=1/C31H54O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h20-21,23-29H,8-19H2,1-7H3

InChi Info:

AuxInfo=1/0/N:1,32,33,7,28,29,30,2,5,4,18,17,9,10,22,14,21,13,24,31,6,26,3,19,23,16,8,11,15,20,12,27,25/E:(2,3)/rA:33cCCCCCCCCCCCCCCCCCCCCCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s6;s8;s9;s10;s8s11;s12;s13;s14;s11s15;s16;s17;s18;s15s19;s20;s21;s22;s19s23;s23;s25;d26;s26;s20;s12;s3;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₅₄O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	10

ZAP Information [?]

Total:	15.7184
Area:	689.816
Solvation:	-1.52701
Coulombic:	-23.5962

Bond Count [?]

All:	36
Single:	35
Double:	1
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	458.759
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	11.07
LogP (Chemaxon):	8.47

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