CID 12444541

Foliachrome

Structural Information

Molecular Formula
C40H56O4
SMILES
CC1=CC(CC(C1(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C2C=C3C(CC(CC3(O2)C)O)(C)C)/C)/C)O)(C)C)O
InChI
InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40(43)32(5)23-33(41)26-38(40,8)9)15-11-12-16-29(2)19-14-20-31(4)35-24-36-37(6,7)25-34(42)27-39(36,10)44-35/h11-24,33-35,41-43H,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+
InChIKey
CDQSVJNQVDTHSI-OMSIYMKDSA-N
Compound name
1-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

600.41785 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.42513 244.4
[M+Na]+ 623.40707 246.1
[M-H]- 599.41057 245.3
[M+NH4]+ 618.45167 255.1
[M+K]+ 639.38101 237.7
[M+H-H2O]+ 583.41511 241.8
[M+HCOO]- 645.41605 246.1
[M+CH3COO]- 659.43170 257.9
[M+Na-2H]- 621.39252 233.8
[M]+ 600.41730 241.7
[M]- 600.41840 241.7
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.