CID 155818799

Asnovolin j

Structural Information

Molecular Formula
C26H38O5
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)C2(C)C)C
InChI
InChI=1S/C26H38O5/c1-14-9-10-17-23(4,5)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)31-26/h14,16-17,19H,9-13H2,1-8H3/t14-,16-,17-,19-,24+,25-,26-/m0/s1
InChIKey
XKJJMXDQESYKLS-IGZQQFENSA-N
Compound name
methyl (3S,3'aR,4S,4'S,4aS,5'S,8aR)-3,3'a,4',4a,7',8,8-heptamethyl-6',7-dioxospiro[1,2,3,5,6,8a-hexahydronaphthalene-4,2'-4,5-dihydro-3H-1-benzofuran]-5'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.2719 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.27918 199.7
[M+Na]+ 453.26112 208.1
[M+NH4]+ 448.30572 211.8
[M+K]+ 469.23506 197.5
[M-H]- 429.26462 202.5
[M+Na-2H]- 451.24657 202.9
[M]+ 430.27135 202.2
[M]- 430.27245 202.2
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.