CID 21674177

Stoloniferone c

Structural Information

Molecular Formula
C28H44O3
SMILES
C[C@H](CC[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=CC5)C)O4)O)C
InChI
InChI=1S/C28H44O3/c1-16(2)17(3)9-10-18(4)20-11-12-21-19-14-24-28(31-24)13-7-8-23(30)27(28,6)25(19)22(29)15-26(20,21)5/h7-8,16-22,24-25,29H,9-15H2,1-6H3/t17-,18+,19-,20+,21-,22+,24+,25+,26+,27+,28+/m0/s1
InChIKey
YPYBLTOYZVZXGX-GGXFAZHCSA-N
Compound name
(1S,2R,7S,9R,11S,12S,15R,16R,18R)-15-[(2R,5S)-5,6-dimethylheptan-2-yl]-18-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.32904 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.33632 205.1
[M+Na]+ 451.31826 209.6
[M-H]- 427.32176 209.5
[M+NH4]+ 446.36286 219.1
[M+K]+ 467.29220 206.4
[M+H-H2O]+ 411.32630 200.4
[M+HCOO]- 473.32724 206.2
[M+CH3COO]- 487.34289 234.7
[M+Na-2H]- 449.30371 201.2
[M]+ 428.32849 205.9
[M]- 428.32959 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.