CID 6483319

Mammeisin diacetate

Structural Information

Molecular Formula
C29H30O7
SMILES
CC(C)CC(=O)C1=C(C(=C2C(=C1OC(=O)C)C(=CC(=O)O2)C3=CC=CC=C3)CC=C(C)C)OC(=O)C
InChI
InChI=1S/C29H30O7/c1-16(2)12-13-21-27-25(22(15-24(33)36-27)20-10-8-7-9-11-20)29(35-19(6)31)26(23(32)14-17(3)4)28(21)34-18(5)30/h7-12,15,17H,13-14H2,1-6H3
InChIKey
OVAGITAYMDGGBZ-UHFFFAOYSA-N
Compound name
[5-acetyloxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-2-oxo-4-phenylchromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

490.19916 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.20644 217.0
[M+Na]+ 513.18838 222.7
[M-H]- 489.19188 225.0
[M+NH4]+ 508.23298 223.7
[M+K]+ 529.16232 221.4
[M+H-H2O]+ 473.19642 207.6
[M+HCOO]- 535.19736 232.0
[M+CH3COO]- 549.21301 245.5
[M+Na-2H]- 511.17383 211.8
[M]+ 490.19861 226.1
[M]- 490.19971 226.1
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

No patent data available for this compound.