CID 3040644

Dihydrolyoniol b acetonide ii

Structural Information

Molecular Formula
C23H36O5
SMILES
CC1(C(CC2C1(C3C(C45CC(CCC4C2=C)C(C5)(C)O)OC(O3)(C)C)O)O)C
InChI
InChI=1S/C23H36O5/c1-12-14-8-7-13-10-22(14,11-21(13,6)25)17-18(28-20(4,5)27-17)23(26)15(12)9-16(24)19(23,2)3/h13-18,24-26H,1,7-11H2,2-6H3
InChIKey
BHFDLTZVTSVQBW-UHFFFAOYSA-N
Compound name
4,4,8,8,17-pentamethyl-12-methylidene-3,5-dioxapentacyclo[14.2.1.01,13.02,6.07,11]nonadecane-7,9,17-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.2563 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.26358 191.4
[M+Na]+ 415.24552 199.6
[M-H]- 391.24902 196.0
[M+NH4]+ 410.29012 215.8
[M+K]+ 431.21946 192.6
[M+H-H2O]+ 375.25356 190.0
[M+HCOO]- 437.25450 194.9
[M+CH3COO]- 451.27015 199.7
[M+Na-2H]- 413.23097 191.3
[M]+ 392.25575 188.3
[M]- 392.25685 188.3
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.