CID 386717

Nsc679248

Structural Information

Molecular Formula
C21H26O6
SMILES
C[C@H]1[C@@H](OC2=C([C@H]1O)C3=C(C(=CC(=O)O3)COC)C4=C2CCC(O4)(C)C)C
InChI
InChI=1S/C21H26O6/c1-10-11(2)25-18-13-6-7-21(3,4)27-19(13)15-12(9-24-5)8-14(22)26-20(15)16(18)17(10)23/h8,10-11,17,23H,6-7,9H2,1-5H3/t10-,11-,17-/m0/s1
InChIKey
IZVFIAZCSQJANY-DINDLPBHSA-N
Compound name
(16S,17R,18S)-18-hydroxy-6-(methoxymethyl)-10,10,16,17-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13)-tetraen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.17294 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18022 188.4
[M+Na]+ 397.16216 198.3
[M-H]- 373.16566 195.7
[M+NH4]+ 392.20676 201.8
[M+K]+ 413.13610 198.3
[M+H-H2O]+ 357.17020 180.5
[M+HCOO]- 419.17114 198.6
[M+CH3COO]- 433.18679 222.4
[M+Na-2H]- 395.14761 192.9
[M]+ 374.17239 194.4
[M]- 374.17349 194.4
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.