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Chemical ID: 6633894

Chemical ID:

6633894

Name [?]:

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

SMILES [?]:

CC12CCCCC1CC(C3C2CC(C4(C3CCC4)C)O)O

InChi [?]:

InChI=1/C19H32O2/c1-18-8-4-3-6-12(18)10-15(20)17-13-7-5-9-19(13,2)16(21)11-14(17)18/h12-17,20-21H,3-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,5,4,17,6,16,3,18,8,12,7,15,11,9,13,10,2,14,21,20/rA:21cCCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s2s10;s11;s12;s13;s10s14;s15;s16;s14s17;s14;s13;s9;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₂O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	8

ZAP Information [?]

Total:	8.68578
Area:	434.642
Solvation:	-2.18027
Coulombic:	-36.0256

Bond Count [?]

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

Chemical Properties

Molecular Weight:	292.456
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	5.12
LogP (Chemaxon):	3.8

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