CID 390101

Nsc687092

Structural Information

Molecular Formula
C23H26O5
SMILES
CC1(CCC2=CC3=C(C=C2O1)OC(C4C3OC5=CC(=C(C=C45)O)OC)(C)C)C
InChI
InChI=1S/C23H26O5/c1-22(2)7-6-12-8-14-18(10-16(12)27-22)28-23(3,4)20-13-9-15(24)19(25-5)11-17(13)26-21(14)20/h8-11,20-21,24H,6-7H2,1-5H3
InChIKey
GSKMXUIUBOOEEP-UHFFFAOYSA-N
Compound name
6-methoxy-11,11,17,17-tetramethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4,6,8,14,20-hexaen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.178 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.185276 189.9
[M+Na]+ 405.167218 200.3
[M-H]- 381.170724 197.9
[M+NH4]+ 400.211823 207.4
[M+K]+ 421.141158 198.8
[M+H-H2O]+ 365.175260 182.8
[M+HCOO]- 427.176201 199.4
[M+CH3COO]- 441.191851 200.6
[M+Na-2H]- 403.152666 194.4
[M]+ 382.17745142 195.1
[M]- 382.17854858 195.1
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.