CID 118753582

152368-24-6

Structural Information

Molecular Formula
C24H36O6
SMILES
CC[C@H](C)C(=O)O[C@H]1CC(=C)C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O
InChI
InChI=1S/C24H36O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,15-16,18-21,23,25-26H,2,5,8-9,11-13H2,1,3-4H3,(H,27,28)/t15-,16-,18+,19+,20-,21-,23-/m0/s1
InChIKey
VOCGRWFQWIIZEJ-HGQWONQESA-N
Compound name
(3R,5R)-7-[(1S,2S,8S,8aR)-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-6-methylidene-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.2512 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.25848 201.7
[M+Na]+ 443.24042 207.0
[M+NH4]+ 438.28502 204.4
[M+K]+ 459.21436 204.5
[M-H]- 419.24392 198.8
[M+Na-2H]- 441.22587 198.2
[M]+ 420.25065 200.9
[M]- 420.25175 200.9
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.