CID 157010020

Furost-5-ene-3beta,22,26-triol

Structural Information

Molecular Formula
C26H42O4
SMILES
C[C@H]1C2C(CC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O[C@@]1(CCCCO)O
InChI
InChI=1S/C26H42O4/c1-16-23-22(30-26(16,29)10-4-5-13-27)15-21-19-7-6-17-14-18(28)8-11-24(17,2)20(19)9-12-25(21,23)3/h6,16,18-23,27-29H,4-5,7-15H2,1-3H3/t16-,18-,19?,20?,21?,22?,23?,24-,25-,26+/m0/s1
InChIKey
DJVDLKHAJBHWLE-MWIJGBPOSA-N
Compound name
(6R,7S,9S,13R,16S)-6-(4-hydroxybutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,16-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.30832 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.31560 206.1
[M+Na]+ 441.29754 210.5
[M-H]- 417.30104 207.5
[M+NH4]+ 436.34214 226.7
[M+K]+ 457.27148 203.8
[M+H-H2O]+ 401.30558 201.3
[M+HCOO]- 463.30652 208.2
[M+CH3COO]- 477.32217 212.1
[M+Na-2H]- 439.28299 202.9
[M]+ 418.30777 201.3
[M]- 418.30887 201.3
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.