CID 3071736

138683-60-0

Structural Information

Molecular Formula
C20H24O8
SMILES
CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3C45[C@@H]2[C@](CO4)([C@@H]([C@]6([C@@H]5CC(=O)O3)CO6)O)O)C)O
InChI
InChI=1S/C20H24O8/c1-8-3-10(21)14(23)17(2)9(8)4-12-20-11(5-13(22)28-12)19(7-26-19)16(24)18(25,6-27-20)15(17)20/h3,9,11-12,14-16,23-25H,4-7H2,1-2H3/t9-,11-,12+,14+,15-,16-,17+,18+,19+,20?/m0/s1
InChIKey
KJCNUSZLTSYRLA-ZMABWSNCSA-N
Compound name
(4S,5S,6S,7R,11R,13S,17S,18S,19S)-4,5,17-trihydroxy-14,18-dimethylspiro[2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-6,2'-oxirane]-9,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.14713 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15441 187.2
[M+Na]+ 415.13635 197.7
[M+NH4]+ 410.18095 200.1
[M+K]+ 431.11029 190.7
[M-H]- 391.13985 199.0
[M+Na-2H]- 413.12180 190.4
[M]+ 392.14658 193.8
[M]- 392.14768 193.8
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.