CID 131751640

Artabsinolide d

Structural Information

Molecular Formula
C15H22O5
SMILES
CC1C2CCC(C3=C(C2OC1=O)C(CC3O)(C)O)(C)O
InChI
InChI=1S/C15H22O5/c1-7-8-4-5-14(2,18)10-9(16)6-15(3,19)11(10)12(8)20-13(7)17/h7-9,12,16,18-19H,4-6H2,1-3H3
InChIKey
YZKOCDPFUHYTHX-UHFFFAOYSA-N
Compound name
6,7,9-trihydroxy-3,6,9-trimethyl-3a,4,5,7,8,9b-hexahydro-3H-azuleno[4,5-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.14673 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15401 161.5
[M+Na]+ 305.13595 169.1
[M-H]- 281.13945 165.5
[M+NH4]+ 300.18055 182.9
[M+K]+ 321.10989 168.0
[M+H-H2O]+ 265.14399 159.9
[M+HCOO]- 327.14493 174.2
[M+CH3COO]- 341.16058 196.3
[M+Na-2H]- 303.12140 162.5
[M]+ 282.14618 158.4
[M]- 282.14728 158.4
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.