CID 132524226

Asnovolin a

Structural Information

Molecular Formula
C26H38O6
SMILES
C[C@H]1CC[C@@H]2[C@@]([C@]13C[C@@]4([C@H]([C@@H](C(=O)C(=C4O3)C)C(=O)OC)C)C)(CCC(=O)OC2(C)C)C
InChI
InChI=1S/C26H38O6/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/h14,16-17,19H,9-13H2,1-8H3/t14-,16-,17-,19-,24+,25-,26-/m0/s1
InChIKey
GUSKPTPZRRTGAQ-IGZQQFENSA-N
Compound name
methyl (3'aR,4'S,5'S,5aS,6S,7S,9aR)-1,1,3'a,4',5a,7,7'-heptamethyl-3,6'-dioxospiro[4,5,7,8,9,9a-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3H-1-benzofuran]-5'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.26685 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.27413 198.6
[M+Na]+ 469.25607 204.9
[M+NH4]+ 464.30067 208.6
[M+K]+ 485.23001 197.4
[M-H]- 445.25957 201.6
[M+Na-2H]- 467.24152 200.8
[M]+ 446.26630 200.8
[M]- 446.26740 200.8
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.