CID 5363599

Lycophyll

Structural Information

Molecular Formula
C40H56O2
SMILES
C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CC/C=C(/CO)\C)/C)/C)/C)\C)\C)/CC/C=C(/CO)\C
InChI
InChI=1S/C40H56O2/c1-33(19-11-21-35(3)23-13-25-37(5)27-15-29-39(7)31-41)17-9-10-18-34(2)20-12-22-36(4)24-14-26-38(6)28-16-30-40(8)32-42/h9-14,17-26,29-30,41-42H,15-16,27-28,31-32H2,1-8H3/b10-9+,19-11+,20-12+,23-13+,24-14+,33-17+,34-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+
InChIKey
JEVVKJMRZMXFBT-CCHFXWJWSA-N
Compound name
(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

241
Patents

568.42804 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.43532 234.1
[M+Na]+ 591.41726 247.7
[M-H]- 567.42076 232.9
[M+NH4]+ 586.46186 243.3
[M+K]+ 607.39120 248.9
[M+H-H2O]+ 551.42530 235.8
[M+HCOO]- 613.42624 230.5
[M+CH3COO]- 627.44189 253.9
[M+Na-2H]- 589.40271 225.9
[M]+ 568.42749 230.5
[M]- 568.42859 230.5
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.