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]+ 383.18528 189.9
[M+Na]+ 405.16722 200.3
[M-H]- 381.17072 197.9
[M+NH4]+ 400.21182 207.4
[M+K]+ 421.14116 198.8
[M+H-H2O]+ 365.17526 182.8
[M+HCOO]- 427.17620 199.4
[M+CH3COO]- 441.19185 200.6
[M+Na-2H]- 403.15267 194.4
[M]+ 382.17745 195.1
[M]- 382.17855 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.