Chemical ID: 6693361

CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO
Chemical ID:
6693361
Name [?]:
[11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate
SMILES [?]:
CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO
InChi [?]:
InChI=1/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,28,2,3,4,18,17,23,10,24,9,20,13,31,19,21,16,11,14,29,5,15,25,12,8,32,22,27,30,6,7/rA:32cCCCCCOOCCCCCCCCCCCCCCOCCCCOCCOCO/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s8s11;s12;s13;s14;s11s15;s16;s17;s18;d19;s20;d21;s21;s23;s15s19s24;s25;s14;s12;s8;d29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H38O6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:7
ZAP Information [?]
Total:9.20272
Area:637.43
Solvation:-6.73304
Coulombic:-68.0835
Bond Count [?]
All:35
Single:31
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:446.576
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.22
LogP (Chemaxon):3.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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