CID 3056995

73927-85-2

Structural Information

Molecular Formula
C28H46O4
SMILES
C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@]6([C@@]5(CC[C@@H](C6)O)C)O)C)C)C)OC1
InChI
InChI=1S/C28H46O4/c1-16-6-11-28(31-15-16)18(3)24-23(32-28)13-22-20-12-17(2)27(30)14-19(29)7-10-26(27,5)21(20)8-9-25(22,24)4/h16-24,29-30H,6-15H2,1-5H3/t16-,17-,18+,19+,20-,21+,22+,23+,24+,25+,26-,27+,28?/m1/s1
InChIKey
KEOLCBLQBIWDBI-JGSWYZDUSA-N
Compound name
(1S,2S,4S,5'R,7S,8R,9S,12S,13R,16S,18S,19R)-5',7,9,13,19-pentamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,18-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

446.3396 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.34688 211.4
[M+Na]+ 469.32882 217.0
[M+NH4]+ 464.37342 225.5
[M+K]+ 485.30276 207.5
[M-H]- 445.33232 216.2
[M+Na-2H]- 467.31427 209.8
[M]+ 446.33905 214.0
[M]- 446.34015 214.0
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.