CID 3079798

Brn 4603272

Structural Information

Molecular Formula
C29H48O7
SMILES
CCC(C1C(CC(C2(O1)C=CC(C3(O2)CCC(O3)(C)C4CCC(C(O4)C)(CC)O)O)C)C)C(=O)CC
InChI
InChI=1S/C29H48O7/c1-8-21(22(30)9-2)25-18(4)17-19(5)28(34-25)14-11-23(31)29(36-28)16-15-26(7,35-29)24-12-13-27(32,10-3)20(6)33-24/h11,14,18-21,23-25,31-32H,8-10,12-13,15-17H2,1-7H3
InChIKey
IIJUJSZXIGNQKP-UHFFFAOYSA-N
Compound name
4-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]hexan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.34 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.34728 216.7
[M+Na]+ 531.32922 222.4
[M+NH4]+ 526.37382 226.0
[M+K]+ 547.30316 214.9
[M-H]- 507.33272 223.6
[M+Na-2H]- 529.31467 219.1
[M]+ 508.33945 219.8
[M]- 508.34055 219.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.