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Chemical ID: 5092173

Chemical ID:

5092173

Name [?]:

17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

SMILES [?]:

CC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C)O

InChi [?]:

InChI=1/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:20,1,17,12,18,11,8,4,7,3,15,16,13,10,9,19,5,6,2,14,21/rA:21cCCCCCCCCCCCCCOCCCCCCO/rB:s1;s2;s3;s4;s2s5;s6;d7;s8;d9;s10;s11;s12;d13;s13;s10d15;s16;s17;s5s9s18;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₄O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	4

ZAP Information [?]

Total:	8.18156
Area:	436.769
Solvation:	-2.73767
Coulombic:	-25.9864

Bond Count [?]

All:	24
Single:	20
Double:	4
Rotors:	0
Chiral:	0
Rigid Segments:	1

Chemical Properties

Molecular Weight:	284.393
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.29
LogP (Chemaxon):	2.61

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value