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Chemical ID: 6633905

Chemical ID:

6633905

Name [?]:

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

SMILES [?]:

CC12CCC3C(C1CCC2O)CCC4=CC(CCC34C)O

InChi [?]:

InChI=1/C19H30O2/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/h11,13-17,20-21H,3-10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:20,1,13,12,8,9,17,4,18,3,15,14,16,6,7,5,10,19,2,21,11/rA:21cCCCCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2s9;s10;s6;s12;s13;d14;s15;s16;s17;s5s14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₀O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	7

ZAP Information [?]

Total:	8.46704
Area:	445.382
Solvation:	-2.66751
Coulombic:	-36.0967

Bond Count [?]

All:	24
Single:	23
Double:	1
Rotors:	0
Chiral:	0
Rigid Segments:	1

Chemical Properties

Molecular Weight:	290.44
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	3.91
LogP (Chemaxon):	3.43

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