CID 13855746

Sonchuside c

Structural Information

Molecular Formula
C21H32O8
SMILES
CC1C2CCC3(CCC(C(=C3C2OC1=O)C)OC4C(C(C(C(O4)CO)O)O)O)C
InChI
InChI=1S/C21H32O8/c1-9-11-4-6-21(3)7-5-12(10(2)14(21)18(11)29-19(9)26)27-20-17(25)16(24)15(23)13(8-22)28-20/h9,11-13,15-18,20,22-25H,4-8H2,1-3H3
InChIKey
FTCASOKOHIRYPL-UHFFFAOYSA-N
Compound name
3,5a,9-trimethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

412.20972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.21700 196.3
[M+Na]+ 435.19894 201.0
[M-H]- 411.20244 199.9
[M+NH4]+ 430.24354 207.8
[M+K]+ 451.17288 199.7
[M+H-H2O]+ 395.20698 191.8
[M+HCOO]- 457.20792 199.9
[M+CH3COO]- 471.22357 221.8
[M+Na-2H]- 433.18439 193.2
[M]+ 412.20917 194.2
[M]- 412.21027 194.2
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

patents stripe