CID 44257634

Stachyoidin

Structural Information

Molecular Formula
C23H20O6
SMILES
CC1(C(=O)[C@@H]2[C@H](O1)COC3=CC(=C4C(=O)C=C(OC4=C23)C5=CC=CC=C5)OC)C
InChI
InChI=1S/C23H20O6/c1-23(2)22(25)20-17(29-23)11-27-16-10-15(26-3)18-13(24)9-14(28-21(18)19(16)20)12-7-5-4-6-8-12/h4-10,17,20H,11H2,1-3H3/t17-,20-/m1/s1
InChIKey
IBYJDRSNJZQSAQ-YLJYHZDGSA-N
Compound name
(13S,17S)-8-methoxy-15,15-dimethyl-4-phenyl-3,11,14-trioxatetracyclo[8.7.0.02,7.013,17]heptadeca-1,4,7,9-tetraene-6,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.12598 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.13326 190.0
[M+Na]+ 415.11520 201.1
[M-H]- 391.11870 202.2
[M+NH4]+ 410.15980 204.4
[M+K]+ 431.08914 200.3
[M+H-H2O]+ 375.12324 182.2
[M+HCOO]- 437.12418 205.0
[M+CH3COO]- 451.13983 201.9
[M+Na-2H]- 413.10065 194.3
[M]+ 392.12543 196.8
[M]- 392.12653 196.8
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

No patent data available for this compound.