Chemical ID: 5580650

CC(=O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
Chemical ID:
5580650
Name [?]:
1-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
SMILES [?]:
CC(=O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
InChi [?]:
InChI=1/C21H34O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h13-19,23-24H,4-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,24,14,13,5,6,18,17,20,10,2,15,19,12,4,7,11,9,16,8,3,21,23/rA:24cCCOCCCCCCCCCCCCCCCCCOCOC/rB:s1;d2;s2;s4;s5;s6;s4s7;s8;s9;s10;s7s11;s12;s13;s14;s11s15;s16;s17;s18;s15s19;s19;s16;s9;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H34O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:9
ZAP Information [?]
Total:7.55303
Area:486.223
Solvation:-4.60253
Coulombic:-39.6231
Bond Count [?]
All:27
Single:26
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:334.493
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.01
LogP (Chemaxon):3.6

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