CID 3777347

Spirost-5-en-2,3-diol

Structural Information

Molecular Formula
C27H42O4
SMILES
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CC(C(C6)O)O)C)C)C)OC1
InChI
InChI=1S/C27H42O4/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/h5,15-16,18-24,28-29H,6-14H2,1-4H3
InChIKey
ORXKASWXOVPKDV-UHFFFAOYSA-N
Compound name
5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-15,16-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.30832 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.31560 207.6
[M+Na]+ 453.29754 214.5
[M+NH4]+ 448.34214 220.7
[M+K]+ 469.27148 206.4
[M-H]- 429.30104 212.8
[M+Na-2H]- 451.28299 205.6
[M]+ 430.30777 210.4
[M]- 430.30887 210.4
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

No patent data available for this compound.