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]+ 393.263576 191.4
[M+Na]+ 415.245518 199.6
[M-H]- 391.249024 196.0
[M+NH4]+ 410.290123 215.8
[M+K]+ 431.219458 192.6
[M+H-H2O]+ 375.253560 190.0
[M+HCOO]- 437.254501 194.9
[M+CH3COO]- 451.270151 199.7
[M+Na-2H]- 413.230966 191.3
[M]+ 392.25575142 188.3
[M]- 392.25684858 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.