CID 383849

184900-59-2

Structural Information

Molecular Formula
C24H22O5
SMILES
C[C@]12[C@H](COC3=C1C=CC(=C3)OC)C4=CC(=C(C=C4O2)OCC5=CC=CC=C5)O
InChI
InChI=1S/C24H22O5/c1-24-18-9-8-16(26-2)10-22(18)28-14-19(24)17-11-20(25)23(12-21(17)29-24)27-13-15-6-4-3-5-7-15/h3-12,19,25H,13-14H2,1-2H3/t19-,24-/m1/s1
InChIKey
SGUHHGODKPYSAQ-NTKDMRAZSA-N
Compound name
(6aS,11aS)-3-methoxy-11a-methyl-9-phenylmethoxy-6,6a-dihydro-[1]benzofuro[3,2-c]chromen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.14673 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15401 191.7
[M+Na]+ 413.13595 200.6
[M-H]- 389.13945 201.4
[M+NH4]+ 408.18055 206.5
[M+K]+ 429.10989 198.0
[M+H-H2O]+ 373.14399 183.2
[M+HCOO]- 435.14493 206.9
[M+CH3COO]- 449.16058 202.3
[M+Na-2H]- 411.12140 196.6
[M]+ 390.14618 196.9
[M]- 390.14728 196.9
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.