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Chemical ID: 6693361
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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