Chemical ID: 5573582

CC(C)C1=C(C(=O)C2=C(C1=O)C=CC3C2(CCCC3(C)C)C)O
Chemical ID:
5573582
Name [?]:
3-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-1,4-dione
SMILES [?]:
CC(C)C1=C(C(=O)C2=C(C1=O)C=CC3C2(CCCC3(C)C)C)O
InChi [?]:
InChI=1/C20H26O3/c1-11(2)14-16(21)12-7-8-13-19(3,4)9-6-10-20(13,5)15(12)18(23)17(14)22/h7-8,11,13,22H,6,9-10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,20,21,22,17,12,13,18,16,2,9,14,4,8,10,5,6,19,15,11,23,7/E:(1,2)(3,4)/rA:23cCCCCCCOCCCOCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s6;d8;s4s9;d10;s9;d12;s13;s8s14;s15;s16;s17;s14s18;s19;s19;s15;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:9.81987
Area:476.661
Solvation:-2.09664
Coulombic:-36.2311
Bond Count [?]
All:25
Single:20
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:314.419
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.06
LogP (Chemaxon):3.56

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue