CID 3012485

Chebi:66267

Structural Information

Molecular Formula
C30H34O6
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=C(C(=C4C(=C3)C=CC(O4)(C)C)O)CC=C(C)C)C
InChI
InChI=1S/C30H34O6/c1-16(2)7-9-19-21(13-18-11-12-30(5,6)36-28(18)27(19)34)25-15-24(33)26-23(32)14-22(31)20(29(26)35-25)10-8-17(3)4/h7-8,11-14,25,31-32,34H,9-10,15H2,1-6H3/t25-/m0/s1
InChIKey
WHMJSNMIIPVCHC-VWLOTQADSA-N
Compound name
(2S)-5,7-dihydroxy-2-[8-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-6-yl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

490.23553 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.24281 223.8
[M+Na]+ 513.22475 230.4
[M-H]- 489.22825 229.3
[M+NH4]+ 508.26935 231.0
[M+K]+ 529.19869 227.1
[M+H-H2O]+ 473.23279 215.3
[M+HCOO]- 535.23373 230.3
[M+CH3COO]- 549.24938 242.9
[M+Na-2H]- 511.21020 219.9
[M]+ 490.23498 226.5
[M]- 490.23608 226.5
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.