CID 467262

Nsc679012

Structural Information

Molecular Formula
C20H22O6
SMILES
C[C@@H]1[C@H](OC2=C([C@@H]1O)C3=C(C(=CC(=O)O3)CO)C4=C2C=CC(O4)(C)C)C
InChI
InChI=1S/C20H22O6/c1-9-10(2)24-17-12-5-6-20(3,4)26-18(12)14-11(8-21)7-13(22)25-19(14)15(17)16(9)23/h5-7,9-10,16,21,23H,8H2,1-4H3/t9-,10-,16-/m1/s1
InChIKey
TUTSWCGOMLVMNA-XIZWVBILSA-N
Compound name
(16R,17S,18R)-18-hydroxy-6-(hydroxymethyl)-10,10,16,17-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.14163 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14891 183.8
[M+Na]+ 381.13085 194.7
[M-H]- 357.13435 190.4
[M+NH4]+ 376.17545 197.3
[M+K]+ 397.10479 194.2
[M+H-H2O]+ 341.13889 176.3
[M+HCOO]- 403.13983 194.3
[M+CH3COO]- 417.15548 194.7
[M+Na-2H]- 379.11630 189.3
[M]+ 358.14108 189.3
[M]- 358.14218 189.3
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.