CID 101565497

132196-53-3

Structural Information

Molecular Formula
C25H30O7
SMILES
C[C@@H]1[C@@H](C2=C(C(=CC3=C2C[C@H]4[C@]5(C=CC(=O)C([C@@H]5C[C@@H]([C@@]4(O3)C)O)(C)C)C)O)C(=O)O1)O
InChI
InChI=1S/C25H30O7/c1-11-21(29)19-12-8-16-24(4)7-6-17(27)23(2,3)15(24)10-18(28)25(16,5)32-14(12)9-13(26)20(19)22(30)31-11/h6-7,9,11,15-16,18,21,26,28-29H,8,10H2,1-5H3/t11-,15+,16+,18+,21+,24+,25-/m1/s1
InChIKey
KCLJXKIILUZVBN-WREWNJFMSA-N
Compound name
(1S,5R,6R,14R,15S,17R,22S)-5,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

442.19916 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.20644 202.3
[M+Na]+ 465.18838 211.5
[M-H]- 441.19188 206.2
[M+NH4]+ 460.23298 217.4
[M+K]+ 481.16232 209.6
[M+H-H2O]+ 425.19642 194.3
[M+HCOO]- 487.19736 204.0
[M+CH3COO]- 501.21301 210.0
[M+Na-2H]- 463.17383 205.4
[M]+ 442.19861 202.9
[M]- 442.19971 202.9
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.