ChemDB: Chemical Search
Download
Chemical ID: 5759807
Chemical ID:
5759807
Name [?]:
[16-methoxyimino-17-(1-methoxyiminoethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SMILES [?]:
CC(=NOC)C1C(=NOC)CC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C
InChi [?]:
InChI=1/C25H40N2O4/c1-15(26-29-5)23-22(27-30-6)14-21-19-8-7-17-13-18(31-16(2)28)9-11-24(17,3)20(19)10-12-25(21,23)4/h17-21,23H,7-14H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,29,30,31,5,10,19,18,23,15,22,14,25,11,2,27,20,24,17,16,12,7,6,21,13,3,8,28,4,9,26/rA:31cCCNOCCCNOCCCCCCCCCCCCCCCCOCOCCC/rB:s1;w2;s3;s4;s2;s6;w7;s8;s9;s7;s11;s6s12;s13;s14;s15;s12s16;s17;s18;s19;s16s20;s21;s22;s23;s20s24;s24;s26;d27;s27;s21;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H40N2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 11.9188 |
Area: | 644.705 |
Solvation: | -4.19881 |
Coulombic: | -26.0561 |
Bond Count [?]
All: | 34 |
Single: | 31 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 432.596 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 6.76 |
LogP (Chemaxon): | 5.64 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|