CID 468342

Chembl7305

Structural Information

Molecular Formula
C23H26O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(=O)[C@H](C(O4)(C)C)C
InChI
InChI=1S/C23H26O5/c1-7-8-13-11-15(24)26-21-16(13)19-14(9-10-22(3,4)27-19)20-17(21)18(25)12(2)23(5,6)28-20/h9-12H,7-8H2,1-6H3/t12-/m1/s1
InChIKey
WDHBIWQPZZNNPY-GFCCVEGCSA-N
Compound name
(17S)-10,10,16,16,17-pentamethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.178 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.18528 189.1
[M+Na]+ 405.16722 201.2
[M-H]- 381.17072 198.1
[M+NH4]+ 400.21182 205.0
[M+K]+ 421.14116 200.5
[M+H-H2O]+ 365.17526 180.8
[M+HCOO]- 427.17620 201.6
[M+CH3COO]- 441.19185 226.6
[M+Na-2H]- 403.15267 195.0
[M]+ 382.17745 197.1
[M]- 382.17855 197.1
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.