CID 287688

Spirostan-2,3-diol

Structural Information

Molecular Formula
C27H44O4
SMILES
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1
InChI
InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3
InChIKey
FWCXELAAYFYCSR-UHFFFAOYSA-N
Compound name
5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

589
Patents

432.32397 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.33125 209.1
[M+Na]+ 455.31319 215.0
[M+NH4]+ 450.35779 222.1
[M+K]+ 471.28713 207.2
[M-H]- 431.31669 214.1
[M+Na-2H]- 453.29864 206.2
[M]+ 432.32342 211.6
[M]- 432.32452 211.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe