CID 121596712

Pseudostrophanthidin

Structural Information

Molecular Formula
C23H32O6
SMILES
C[C@]12CC[C@H]3[C@]4([C@H]1CC[C@@H]2C5=CC(=O)OC5)CC[C@]6([C@@]3(CC[C@@H](C6)O)C(O4)O)O
InChI
InChI=1S/C23H32O6/c1-20-6-5-17-22-7-4-14(24)11-21(22,27)8-9-23(17,29-19(22)26)16(20)3-2-15(20)13-10-18(25)28-12-13/h10,14-17,19,24,26-27H,2-9,11-12H2,1H3/t14-,15+,16-,17+,19?,20+,21-,22+,23+/m0/s1
InChIKey
LEXZZTKQKOEXQZ-YZIMFNBCSA-N
Compound name
3-[(1S,2R,5R,6S,9S,10R,13S,15S)-13,15,18-trihydroxy-5-methyl-19-oxapentacyclo[8.7.2.01,13.02,10.05,9]nonadecan-6-yl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.21988 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.22716 191.7
[M+Na]+ 427.20910 196.9
[M-H]- 403.21260 198.7
[M+NH4]+ 422.25370 213.6
[M+K]+ 443.18304 192.8
[M+H-H2O]+ 387.21714 188.1
[M+HCOO]- 449.21808 195.3
[M+CH3COO]- 463.23373 199.6
[M+Na-2H]- 425.19455 190.1
[M]+ 404.21933 186.5
[M]- 404.22043 186.5
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.