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Chemical ID: 7654470
Chemical ID:
7654470
Name [?]:
None
SMILES [?]:
CC12CCCC3(C1C(OC2)O)COC(=O)C45C3CCC(C4)C(=C)C5=O
InChi [?]:
InChI=1/C20H26O5/c1-11-12-4-5-13-19(10-25-17(23)20(13,8-12)15(11)21)7-3-6-18(2)9-24-16(22)14(18)19/h12-14,16,22H,1,3-10H2,2H3
InChi Info:
AuxInfo=1/0/N:23,1,4,19,18,3,5,21,10,12,22,20,17,7,24,8,14,2,6,16,25,11,15,9,13/rA:25cCCCCCCCCOCOCOCOCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2s9;s8;s6;s12;s13;d14;s14;s6s16;s17;s18;s19;s16s20;s20;d22;s16s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26O5 |
All Atoms: | 51 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.93841 |
Area: | 462.287 |
Solvation: | -5.61877 |
Coulombic: | -51.2184 |
Bond Count [?]
All: | 29 |
Single: | 26 |
Double: | 3 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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