CID 443565

L-olivosyl-oleandolide

Structural Information

Molecular Formula
C26H44O10
SMILES
C[C@H]1C[C@@]2(CO2)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O[C@H]3C[C@@H]([C@H]([C@@H](O3)C)O)O)C)C)C)O)C
InChI
InChI=1S/C26H44O10/c1-11-9-26(10-33-26)24(31)14(4)21(29)12(2)16(6)35-25(32)15(5)23(13(3)20(11)28)36-19-8-18(27)22(30)17(7)34-19/h11-23,27-30H,8-10H2,1-7H3/t11-,12-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,26+/m0/s1
InChIKey
SBBLTTCUMKGRJI-GYHYDPCPSA-N
Compound name
(3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-8-[(2R,4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,14-dihydroxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

516.29346 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.30074 213.2
[M+Na]+ 539.28268 219.6
[M-H]- 515.28618 218.3
[M+NH4]+ 534.32728 210.2
[M+K]+ 555.25662 221.4
[M+H-H2O]+ 499.29072 213.6
[M+HCOO]- 561.29166 213.9
[M+CH3COO]- 575.30731 241.3
[M+Na-2H]- 537.26813 206.1
[M]+ 516.29291 214.9
[M]- 516.29401 214.9
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.