CID 71902

Siccanin

Structural Information

Molecular Formula
C22H30O3
SMILES
CC1=CC(=C2[C@H]3[C@H]4[C@](CC[C@@H]5[C@]4(CCCC5(C)C)CO3)(OC2=C1)C)O
InChI
InChI=1S/C22H30O3/c1-13-10-14(23)17-15(11-13)25-21(4)9-6-16-20(2,3)7-5-8-22(16)12-24-18(17)19(21)22/h10-11,16,18-19,23H,5-9,12H2,1-4H3/t16-,18-,19-,21-,22-/m0/s1
InChIKey
UGGAILYEBCSZIV-ITJSPEIASA-N
Compound name
(1S,4R,12S,15S,20S)-8,12,16,16-tetramethyl-3,11-dioxapentacyclo[10.7.1.01,15.04,20.05,10]icosa-5,7,9-trien-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1767
Patents

342.21948 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.22676 180.9
[M+Na]+ 365.20870 188.1
[M-H]- 341.21220 186.8
[M+NH4]+ 360.25330 202.7
[M+K]+ 381.18264 184.6
[M+H-H2O]+ 325.21674 173.2
[M+HCOO]- 387.21768 187.6
[M+CH3COO]- 401.23333 190.4
[M+Na-2H]- 363.19415 184.4
[M]+ 342.21893 179.2
[M]- 342.22003 179.2
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.