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Chemical ID: 6633986

Chemical ID:

6633986

Name [?]:

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

SMILES [?]:

CC12CCCCC1C(=O)CC3C2CCC4(C3CCC4=O)C

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,21,5,4,6,17,18,13,3,14,10,11,16,12,7,8,19,2,15,9,20/rA:21cCCCCCCCCOCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;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:	7.96326
Area:	437.696
Solvation:	-2.97914
Coulombic:	-15.5048

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:	3.68
LogP (Chemaxon):	4.69

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