Chemical ID: 5573584

CC(C)C1=C(C(=O)C2=C(C1=O)C(CC3C2(CCCC3(C)C)C)O)O
Chemical ID:
5573584
Name [?]:
3,10-dihydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-1,4-dione
SMILES [?]:
CC(C)C1=C(C(=O)C2=C(C1=O)C(CC3C2(CCCC3(C)C)C)O)O
InChi [?]:
InChI=1/C20H28O4/c1-10(2)13-16(22)14-11(21)9-12-19(3,4)7-6-8-20(12,5)15(14)18(24)17(13)23/h10-12,21,23H,6-9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,20,21,22,17,18,16,13,2,12,14,4,9,8,10,5,6,19,15,23,11,24,7/E:(1,2)(3,4)/rA:24cCCCCCCOCCCOCCCCCCCCCCCOO/rB:s1;s2;s2;d4;s5;d6;s6;d8;s4s9;d10;s9;s12;s13;s8s14;s15;s16;s17;s14s18;s19;s19;s15;s12;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:3
ZAP Information [?]
Total:9.26275
Area:488.39
Solvation:-2.94701
Coulombic:-51.9221
Bond Count [?]
All:26
Single:22
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:332.434
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.26
LogP (Chemaxon):2.9

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Descriptor Annotations

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