CID 6437365

Verrucosidin

Structural Information

Molecular Formula
C24H32O6
SMILES
C[C@@H]1[C@@]2([C@@H](O2)[C@](O1)(C)/C=C(\C)/C=C(\C)/[C@H]3[C@](O3)(C)C4=C(C(=C(C(=O)O4)C)OC)C)C
InChI
InChI=1S/C24H32O6/c1-12(11-22(6)21-23(7,30-21)16(5)28-22)10-13(2)18-24(8,29-18)19-14(3)17(26-9)15(4)20(25)27-19/h10-11,16,18,21H,1-9H3/b12-11+,13-10+/t16-,18+,21+,22+,23-,24-/m1/s1
InChIKey
JSVLNARHSWZARV-FOOXNAEUSA-N
Compound name
4-methoxy-3,5-dimethyl-6-[(2R,3S)-2-methyl-3-[(2E,4E)-4-methyl-5-[(1S,2S,4R,5R)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]penta-2,4-dien-2-yl]oxiran-2-yl]pyran-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

51
Patents

416.21988 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.22716 169.8
[M+Na]+ 439.20910 183.4
[M+NH4]+ 434.25370 179.5
[M+K]+ 455.18304 180.7
[M-H]- 415.21260 189.2
[M+Na-2H]- 437.19455 180.1
[M]+ 416.21933 179.9
[M]- 416.22043 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe