CID 6445919

Lankacyclinol

Structural Information

Molecular Formula
C24H35NO5
SMILES
C[C@H]1C(/C=C(\C=C/[C@H](C/C=C(\C=C/[C@H](C/C=C(\C1=O)/C)O)/C)O)/C)NC(=O)C(C)O
InChI
InChI=1S/C24H35NO5/c1-15-6-10-20(27)12-8-16(2)14-22(25-24(30)19(5)26)18(4)23(29)17(3)9-13-21(28)11-7-15/h6-9,11-12,14,18-22,26-28H,10,13H2,1-5H3,(H,25,30)/b11-7-,12-8-,15-6-,16-14-,17-9-/t18-,19?,20-,21+,22?/m0/s1
InChIKey
WNPBZRKAWLYSOP-FMNDFTDJSA-N
Compound name
N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

417.25153 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.25881 198.0
[M+Na]+ 440.24075 206.5
[M+NH4]+ 435.28535 200.5
[M+K]+ 456.21469 202.7
[M-H]- 416.24425 199.2
[M+Na-2H]- 438.22620 200.1
[M]+ 417.25098 198.8
[M]- 417.25208 198.8
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

patents stripe