CID 390110

Nsc687101

Structural Information

Molecular Formula
C30H32O6
SMILES
CC1(CCC2=C3C(=C(C=C2O1)OC)C4C(C5=CC(=C(C=C5O4)OCC6=CC=CC=C6)O)C(O3)(C)C)C
InChI
InChI=1S/C30H32O6/c1-29(2)12-11-18-22(35-29)15-24(32-5)25-27(18)36-30(3,4)26-19-13-20(31)23(14-21(19)34-28(25)26)33-16-17-9-7-6-8-10-17/h6-10,13-15,26,28,31H,11-12,16H2,1-5H3
InChIKey
IWUGMQXSXBFMSQ-UHFFFAOYSA-N
Compound name
21-methoxy-11,11,17,17-tetramethyl-6-phenylmethoxy-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(21),4,6,8,13,19-hexaen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.21988 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.227156 219.6
[M+Na]+ 511.209098 228.5
[M-H]- 487.212604 230.2
[M+NH4]+ 506.253703 232.0
[M+K]+ 527.183038 227.0
[M+H-H2O]+ 471.217140 209.4
[M+HCOO]- 533.218081 227.8
[M+CH3COO]- 547.233731 227.9
[M+Na-2H]- 509.194546 221.3
[M]+ 488.21933142 225.8
[M]- 488.22042858 225.8
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.