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Chemical ID: 6634299
Chemical ID:
6634299
Name [?]:
None
SMILES [?]:
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC5=O)C)C)C2C1)C)C)C
InChi [?]:
InChI=1/C27H42O/c1-23(2)13-14-24(3)15-16-26(5)18(20(24)17-23)7-8-22-25(4)11-10-21(28)19(25)9-12-27(22,26)6/h7,19-20,22H,8-17H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,28,27,22,26,23,10,11,15,19,18,14,3,4,6,7,25,9,16,24,20,12,2,5,17,8,13,21/E:(1,2)/rA:28cCCCCCCCCCCCCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s8s12;s13;s14;s15;s12s16;s17;s18;s16s19;d20;s17;s13;s5s9;s2s24;s8;s5;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H42O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 11.9287 |
Area: | 543.463 |
Solvation: | -1.65783 |
Coulombic: | -11.359 |
Bond Count [?]
All: | 32 |
Single: | 30 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 382.622 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 7.34 |
LogP (Chemaxon): | 7.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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