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Chemical ID: 6424055
Chemical ID:
6424055
Name [?]:
[1-[2-(4-acetoxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl)ethyl]-1-methyl-prop-2-enyl] acetate
SMILES [?]:
CC(=O)OC1CC(=C)C(C2(C1C(CCC2)(C)C)C)CCC(C)(C=C)OC(=O)C
InChi [?]:
InChI=1/C24H38O4/c1-9-23(7,28-18(4)26)14-11-19-16(2)15-20(27-17(3)25)21-22(5,6)12-10-13-24(19,21)8/h9,19-21H,1-2,10-15H2,3-8H3
InChi Info:
AuxInfo=1/0/N:24,8,1,28,16,17,22,18,23,14,19,13,15,20,6,7,2,26,9,5,11,12,21,10,3,27,4,25/E:(5,6)/rA:28cCCOOCCCCCCCCCCCCCCCCCCCCOCOC/rB:s1;d2;s2;s4;s5;s6;d7;s7;s9;s5s10;s11;s12;s13;s10s14;s12;s12;s10;s9;s19;s20;s21;s21;d23;s21;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H38O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 11.8698 |
Area: | 580.553 |
Solvation: | -2.64407 |
Coulombic: | -40.33 |
Bond Count [?]
All: | 29 |
Single: | 25 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 390.556 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.43 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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