Chemical ID: 3966544

CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Chemical ID:
3966544
Name [?]:
3-[2-[7a-methyl-1-(1,4,5-trimethylhex-2-enyl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol
SMILES [?]:
CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChi [?]:
InChI=1/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3
InChi Info:
AuxInfo=1/0/N:1,3,5,27,9,29,16,17,6,7,25,19,20,24,11,12,15,22,2,4,26,8,18,21,23,10,13,14,28/E:(1,2)/rA:29cCCCCCCCCCCCCCCCCCCCCCCCCCCCOC/rB:s1;s2;s2;s4;s4;w6;s7;s8;s8;s10;s11;s12;s10s13;s14;s15;s16;s13s17;w18;s19;w20;s21;s22;s23;s24;s21s25;d26;s23;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H44O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:6
ZAP Information [?]
Total:13.9758
Area:627.339
Solvation:-1.70767
Coulombic:-23.8581
Bond Count [?]
All:31
Single:27
Double:4
Rotors:5
Chiral:3
Rigid Segments:6
Chemical Properties
Molecular Weight:396.648
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:7.27
LogP (Chemaxon):6.95

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Experimental Annotations

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Descriptor Annotations

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