CID 15282391

3,6,8,8-tetramethyl-2-[(3e)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-7-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3-(3,7,8-trimethyl-4-methylidenenon-8-enyl)-1,4-dioxaspiro[4.5]dec-6-ene

Structural Information

Molecular Formula
C74H112O2
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C3(CCC2(C)C)OC(C(O3)(C)CCC(C)C(=C)CCC(C)C(=C)C)CC/C=C(\C)/CCC(C)C(=C)CCC(C)C(=C)C)C)/C)/C
InChI
InChI=1S/C74H112O2/c1-53(2)60(10)42-44-63(13)62(12)41-38-57(7)35-27-37-70-73(22,50-48-65(15)64(14)45-43-61(11)54(3)4)76-74(75-70)52-51-72(20,21)69(67(74)17)47-40-59(9)34-26-32-56(6)30-24-23-29-55(5)31-25-33-58(8)39-46-68-66(16)36-28-49-71(68,18)19/h23-26,29-35,39-40,46-47,60-62,65,70H,1,3,13-14,27-28,36-38,41-45,48-52H2,2,4-12,15-22H3/b24-23+,31-25+,32-26+,46-39+,47-40+,55-29+,56-30+,57-35+,58-33+,59-34+
InChIKey
SNYODJNKBVCEKK-ZZSAXZFFSA-N
Compound name
3,6,8,8-tetramethyl-2-[(3E)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-7-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3-(3,7,8-trimethyl-4-methylidenenon-8-enyl)-1,4-dioxaspiro[4.5]dec-6-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1032.8662 Da
Monoisotopic Mass

25.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1033.8735 305.0
[M+Na]+ 1055.8554 326.8
[M-H]- 1031.8589 311.8
[M+NH4]+ 1050.9000 331.3
[M+K]+ 1071.8294 337.1
[M+H-H2O]+ 1015.8635 316.6
[M+HCOO]- 1077.8644 303.5
[M+CH3COO]- 1091.8801 346.0
[M+Na-2H]- 1053.8409 296.8
[M]+ 1032.8657 309.8
[M]- 1032.8667 309.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.