CID 172877202

6as, 12as, 12s-munduserol

Structural Information

Molecular Formula
C19H20O6
SMILES
COC1=CC2=C(C=C1)[C@H]([C@H]3[C@@H](O2)COC4=CC(=C(C=C34)OC)OC)O
InChI
InChI=1S/C19H20O6/c1-21-10-4-5-11-14(6-10)25-17-9-24-13-8-16(23-3)15(22-2)7-12(13)18(17)19(11)20/h4-8,17-20H,9H2,1-3H3/t17-,18+,19+/m0/s1
InChIKey
BGOQGSGYKUKDNG-IPMKNSEASA-N
Compound name
(6aR,12S,12aS)-2,3,9-trimethoxy-6,6a,12,12a-tetrahydrochromeno[2,3-c]chromen-12-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.12598 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 176.8
[M+Na]+ 367.11520 185.2
[M-H]- 343.11870 183.2
[M+NH4]+ 362.15980 190.2
[M+K]+ 383.08914 184.9
[M+H-H2O]+ 327.12324 168.6
[M+HCOO]- 389.12418 190.3
[M+CH3COO]- 403.13983 187.7
[M+Na-2H]- 365.10065 183.0
[M]+ 344.12543 182.4
[M]- 344.12653 182.4
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.