CID 46173151

16, 17-dihydro-16alpha, 17-dihydroxy ga9

Structural Information

Molecular Formula
C19H26O6
SMILES
C[C@]12CCCC3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)[C@](C5)(CO)O)C(=O)O)OC2=O
InChI
InChI=1S/C19H26O6/c1-16-5-2-6-19(25-15(16)23)11-4-3-10-7-17(11,8-18(10,24)9-20)12(13(16)19)14(21)22/h10-13,20,24H,2-9H2,1H3,(H,21,22)/t10-,11-,12-,13-,16+,17-,18+,19?/m1/s1
InChIKey
OXEMPUBMLFVGQQ-XAGBHBTISA-N
Compound name
(2R,5R,6R,8R,9S,10R,11S)-6-hydroxy-6-(hydroxymethyl)-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

350.17294 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18022 177.7
[M+Na]+ 373.16216 180.9
[M+NH4]+ 368.20676 189.8
[M+K]+ 389.13610 176.5
[M-H]- 349.16566 176.6
[M+Na-2H]- 371.14761 176.8
[M]+ 350.17239 177.9
[M]- 350.17349 177.9
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.