CID 16733714

Stoloniferone l

Structural Information

Molecular Formula
C28H44O4
SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2C[C@@H]4[C@]5([C@@]3(C(=O)C[C@@H](C5)O)C)O4)O)C
InChI
InChI=1S/C28H44O4/c1-15(2)16(3)7-8-17(4)20-9-10-21-19-12-24-28(32-24)13-18(29)11-23(31)27(28,6)25(19)22(30)14-26(20,21)5/h7-8,15-22,24-25,29-30H,9-14H2,1-6H3/b8-7+/t16-,17+,18-,19-,20+,21-,22+,24+,25+,26+,27+,28+/m0/s1
InChIKey
SXXIPQYFYIDVCY-LEIIMLTHSA-N
Compound name
(1S,2R,5R,7S,9R,11S,12S,15R,16R,18R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5,18-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.32397 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.33125 206.7
[M+Na]+ 467.31319 210.9
[M-H]- 443.31669 209.6
[M+NH4]+ 462.35779 219.6
[M+K]+ 483.28713 207.2
[M+H-H2O]+ 427.32123 203.4
[M+HCOO]- 489.32217 205.1
[M+CH3COO]- 503.33782 235.4
[M+Na-2H]- 465.29864 201.8
[M]+ 444.32342 205.9
[M]- 444.32452 205.9
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.