CID 155818802

Asnovolin k

Structural Information

Molecular Formula
C26H36O6
SMILES
C[C@H]1CC[C@@H]2[C@@]([C@]13C[C@@]4(C(=C(C(=O)C(=C4O3)C)C(=O)OC)C)C)(CCC(=O)OC2(C)C)C
InChI
InChI=1S/C26H36O6/c1-14-9-10-17-23(4,5)31-18(27)11-12-25(17,7)26(14)13-24(6)16(3)19(22(29)30-8)20(28)15(2)21(24)32-26/h14,17H,9-13H2,1-8H3/t14-,17-,24+,25-,26-/m0/s1
InChIKey
YQWBCSIREWBSHS-MNKLQMRISA-N
Compound name
methyl (2S,3aR,5'aS,7'S,9'aR)-1',1',3a,4,5'a,7,7'-heptamethyl-3',6-dioxospiro[3H-1-benzofuran-2,6'-4,5,7,8,9,9a-hexahydrobenzo[c]oxepine]-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.2512 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.25848 197.2
[M+Na]+ 467.24042 204.4
[M+NH4]+ 462.28502 207.4
[M+K]+ 483.21436 196.7
[M-H]- 443.24392 200.5
[M+Na-2H]- 465.22587 200.3
[M]+ 444.25065 199.7
[M]- 444.25175 199.7
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.