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Chemical ID: 4555271

Chemical ID:

4555271

Name [?]:

1-hydroxy-4,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

SMILES [?]:

Cc1ccc(c2c1CCC3C2CCC4(C3CCC4=O)C)O

InChi [?]:

InChI=1/C19H24O2/c1-11-3-7-16(20)18-12(11)4-5-13-14(18)9-10-19(2)15(13)6-8-17(19)21/h3,7,13-15,20H,4-6,8-10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,3,8,9,16,4,17,12,13,2,7,10,11,15,5,18,6,14,21,19/rA:21cCCCCCCCCCCCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s6s10;s11;s12;s13;s10s14;s15;s16;s14s17;d18;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.22203
Area:	438.494
Solvation:	-2.74033
Coulombic:	-24.6966

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:	3.85
LogP (Chemaxon):	5.0

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