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Chemical ID: 3965083

Chemical ID:

3965083

Name [?]:

10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

SMILES [?]:

CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4=O)C

InChi [?]:

InChI=1/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,9,10,17,18,4,13,3,14,7,8,5,11,16,12,19,2,15,6,20/rA:21cCCCCCOCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s2s7;s8;s9;s10;s2s11;s12;s13;s14;s11s15;s16;s17;s15s18;d19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₈O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	6

ZAP Information [?]

Total:	8.04058
Area:	441.636
Solvation:	-3.00032
Coulombic:	-15.2431

Bond Count [?]

All:	24
Single:	22
Double:	2
Rotors:	0
Chiral:	0
Rigid Segments:	1

Chemical Properties

Molecular Weight:	288.424
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.89
LogP (Chemaxon):	4.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value