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 202.6
[M+Na]+ 443.24042 203.0
[M-H]- 419.24392 200.7
[M+NH4]+ 438.28502 211.4
[M+K]+ 459.21436 200.2
[M+H-H2O]+ 403.24846 196.3
[M+HCOO]- 465.24940 209.6
[M+CH3COO]- 479.26505 226.8
[M+Na-2H]- 441.22587 193.9
[M]+ 420.25065 201.7
[M]- 420.25175 201.7
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.