Chemical ID: 6424291

CC(C)c1cc2c(c(c1O)O)C3(CCCC(C3C(=O)C2)(C)C)C
Chemical ID:
6424291
Name [?]:
3,4-dihydroxy-2-isopropyl-4b,8,8-trimethyl-6,7,8a,10-tetrahydro-5H-phenanthren-9-one
SMILES [?]:
CC(C)c1cc2c(c(c1O)O)C3(CCCC(C3C(=O)C2)(C)C)C
InChi [?]:
InChI=1/C20H28O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9,11,18,22-23H,6-8,10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,21,22,23,14,15,13,5,20,2,6,4,18,7,9,8,17,16,12,19,10,11/E:(1,2)(3,4)/rA:23cCCCCCCCCCOOCCCCCCCOCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s8;s7;s12;s13;s14;s15;s12s16;s17;d18;s6s18;s16;s16;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:8.41296
Area:471.323
Solvation:-3.37012
Coulombic:-41.3395
Bond Count [?]
All:25
Single:21
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:316.435
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.32
LogP (Chemaxon):5.42

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