Chemical ID: 4557393

CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O
Chemical ID:
4557393
Name [?]:
[2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate
SMILES [?]:
CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O
InChi [?]:
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,20,22,18,6,19,7,3,15,10,25,2,27,16,4,5,14,11,23,12,13,9,8,28,17,21,24,30,26/rA:30cCCCCCCCCCCCCCCCCOCCCOCCOCOCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;s4s11;s12;s2s13;d14;s15;d16;s16;s13d18;s13;s11;s9;s8;d23;s23;s25;s26;d27;s27;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32O6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:8
ZAP Information [?]
Total:9.25666
Area:588.828
Solvation:-5.46404
Coulombic:-69.5759
Bond Count [?]
All:33
Single:28
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:416.507
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.84
LogP (Chemaxon):2.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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